Datasets:

dzjxzyd

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new_ppic_large_embed

like 0

[C@H] 1 ( C ( = O ) [O-] ) [NH2+] C [C@@H] ( C 1 ) O

C 1 = N [C@H] ( C ( [O-] ) = O ) C C 1 . [H+] . O

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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[O-] C ( = O ) [C@H] 1 N = C C C 1 . [H+] . O

[NH2+] 1 [C@H] ( C ( = O ) [O-] ) C [C@H] ( C 1 ) O

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

[O-] C ( = O ) [C@@H] 1 C [C@H] ( C [NH2+] 1 ) O

O = C ( [C@H] 1 N = C C C 1 ) [O-] . [H+] . O

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

O . [O-] C ( = O ) [C@@H] 1 C C C = N 1 . [H+]

[C@@H] 1 ( O ) C [C@H] ( [NH2+] C 1 ) C ( = O ) [O-]

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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O = C ( [C@H] 1 [NH2+] C [C@H] ( O ) C 1 ) [O-]

O . C 1 C = N [C@@H] ( C 1 ) C ( [O-] ) = O . [H+]

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

[H+] . O . C 1 C = N [C@H] ( C ( [O-] ) = O ) C 1

C 1 [C@@H] ( O ) C [NH2+] [C@@H] 1 C ( [O-] ) = O

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

O [C@@H] 1 C [C@@H] ( C ( = O ) [O-] ) [NH2+] C 1

[H+] . O . C 1 C C = N [C@@H] 1 C ( = O ) [O-]

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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[H+] . O . C 1 C C [C@H] ( N = 1 ) C ( [O-] ) = O

[C@@H] 1 ( C [NH2+] [C@H] ( C ( = O ) [O-] ) C 1 ) O

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

O = C ( [O-] ) [C@@H] 1 C [C@@H] ( O ) C [NH2+] 1

[H+] . O . C 1 = N [C@H] ( C ( [O-] ) = O ) C C 1

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

[C@@H] 1 ( C ( [O-] ) = O ) C C C = N 1 . [H+] . O

C ( [C@@H] 1 C [C@H] ( C [NH2+] 1 ) O ) ( = O ) [O-]

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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C 1 [C@@H] ( C [C@@H] ( C ( = O ) [O-] ) [NH2+] 1 ) O

N 1 = C C C [C@H] 1 C ( [O-] ) = O . [H+] . O

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

C ( [C@H] 1 N = C C C 1 ) ( = O ) [O-] . [H+] . O

C ( [O-] ) ( = O ) [C@H] 1 [NH2+] C [C@@H] ( C 1 ) O

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

[NH2+] 1 C [C@H] ( O ) C [C@H] 1 C ( = O ) [O-]

O = C ( [O-] ) [C@@H] 1 C C C = N 1 . [H+] . O

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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[C@H] 1 ( C C C = N 1 ) C ( = O ) [O-] . O . [H+]

C 1 [C@@H] ( O ) C [NH2+] [C@@H] 1 C ( [O-] ) = O

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

C 1 [C@@H] ( C [C@H] ( [NH2+] 1 ) C ( [O-] ) = O ) O

O = C ( [C@H] 1 N = C C C 1 ) [O-] . O . [H+]

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

O . [C@@H] 1 ( N = C C C 1 ) C ( [O-] ) = O . [H+]

O [C@H] 1 C [NH2+] [C@@H] ( C 1 ) C ( = O ) [O-]

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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O [C@@H] 1 C [C@H] ( [NH2+] C 1 ) C ( = O ) [O-]

O . N 1 = C C C [C@H] 1 C ( [O-] ) = O . [H+]

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

[H+] . C 1 C C [C@@H] ( C ( [O-] ) = O ) N = 1 . O

[NH2+] 1 C [C@H] ( O ) C [C@H] 1 C ( [O-] ) = O

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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-1.0498e-01, -1.2477e-01, 2.3532e-02]])

[O-] C ( = O ) [C@H] 1 [NH2+] C [C@@H] ( C 1 ) O

[H+] . [O-] C ( [C@H] 1 N = C C C 1 ) = O . O

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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O . [H+] . O = C ( [O-] ) [C@H] 1 N = C C C 1

O [C@H] 1 C [NH2+] [C@H] ( C ( [O-] ) = O ) C 1

MARGTFERTKKLREESINAEPHISIERAVLMTEAYKKYEGSVEIPVLRALSFKHYIENRTLSINDGELIVGEKGDSPNGAPTYPEICCHTMEDLEVMHNRDIINFSVSEEARKIHKEEIIPFWKKRQTRDKIINAMTPEWLAAYEAGMFTEFMEQRAPGHTVCGDTIYKKGFLDLKKDIEARLKELDFLNDLDAYNKKADLEAMAIACDAMVILGKRYAEKARQMAEEETDEAKKKDLLLIAETCDVVPAHKPETYHQAIQMYWFVHIGVTTELNIWDAFTPGRLDQHLNPFYERDVENGILDRDRAQELLECLWVKFNNQPAPPKVGITLKESSTYTDFANINTGGINPDGQDGVNEVSYIILDVMDEMKLIQPSSNVQISKKTPQKFLKRACEISRKGWGQPAFYNTEAIVQELMEAGKTIEDARLGGTSGCVETGCFGKEAYVLTGYMNIPKILELTLNNGYDPISKKQIGIETGDPRNFQSYEELFEAFKKQLHYMIDIKIEGNAVIENICAKHMPCPLMSTIVDDCIEKGKDYQRGGARYNTRYIQGVGIGTITDSLTAIKYNVFDKKKFDMDTLLKALDANFEGYEAILNLVSNKTPKYGNDDDYADEIMQEIFNAYYNEVTGRPTVCGGEYRVDMLPTTCHIYFGEIMGASPNGRLCAKPVSEGISPEKGGDTNGPTAVIKSCAKMDHIKTGGTLLNQRFAPSVVQGEKGLDNMANLVRAYFNMDGHHIQFNVFDKNVLLEAQKNPQDYKDLIVRVAGYSDHFNNLSRTLQDEIIGRTEQTF

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1.1762e-01, 1.4760e-01, 6.2686e-02, -4.9063e-02, 2.2205e-02, -1.6986e-01, 1.4446e-01, 4.0892e-02, -9.6063e-02, 4.3813e-02, -6.2366e-02, -2.7217e-02, 1.7185e-01, 1.2229e-01, 2.2977e-01, 1.8240e-01, -1.6860e-01, -7.8344e-02, 1.1858e-01, 1.0154e-01, -1.2675e-01, -8.2013e-02, 6.8333e-02, -1.3832e-01, -1.9334e-01, 9.3090e-02, 5.5271e-02, -6.1235e-02, 3.8992e-02, 1.9934e-01, -9.4265e-02, 2.3801e-01, 8.5953e-03, -1.0540e-01, 1.1196e-01, 2.2843e-03, 7.9962e-02, -2.2507e-02, -1.4680e-01, -2.9533e-02, -9.0939e-02, 3.2283e-02, -9.1925e-02, 5.1325e-02, 5.9421e-02, 2.3830e-01, -4.4295e-03, -9.5744e-02, 9.1974e-02, -1.3733e-01, -9.0375e-02, -1.0450e-01, 8.6030e-02, -5.0657e-02, -4.0727e-02, 3.2054e-02, -1.2668e-01, -9.2633e-02, -2.0928e-01, 6.8908e-02, 5.1050e-02, -1.5763e-01, 5.5019e-03, -2.7318e-02, 2.5682e-04, -1.8551e-01, 7.0709e-02, 1.2761e-02, -6.2162e-02, -6.8568e-02, 1.1735e-01, -3.1773e-02, 1.4200e-01, 9.3335e-02, -3.9139e-02, 5.9185e-03, 1.3342e-02, -2.2730e-02, -1.6936e-01, -2.7668e-01, 9.8769e-02, 3.9620e-02, -1.4563e-02, 2.9815e-02, 2.1814e-02, -1.0546e-01, 7.3985e-02, 6.5522e-02, -4.2843e-02, 1.5813e-01, 1.6913e-03, -1.1538e-01, -5.0402e-02, 6.4084e-02, -4.2244e-02, 1.9186e-02, -6.1964e-04, -1.5167e-01, 7.9032e-02, -3.5631e-02, -4.4223e-02, -8.7517e-02, -1.5265e-03, 1.5881e-03, 1.5604e-02, 2.0533e-02, 1.3025e-01, -1.0704e-01, 1.4511e-01, -3.2619e-02, 4.2380e-02, 1.7590e-01, 7.0134e-02, 3.1583e-02, -8.1111e-02, -4.9953e-02, 1.1690e-02, 1.2292e-01, 7.6192e-02, -6.3212e-03, -1.2172e-02, 5.3758e-02, -2.2803e-03, 8.3515e-02, -3.9483e-01, 6.0365e-02, 3.0210e-02, 2.2594e-01, 1.0097e-01, -2.6000e-01, 9.3800e-03, -8.9637e-02, -2.1798e-03, 1.1685e-02, -7.3226e-02, -1.1969e-01, 2.6487e-02, 6.9298e-03, 1.0226e-01, 5.8450e-02, -1.8757e-01, -6.6895e-02, -1.9504e-02, -2.5148e+00, -3.6749e-02, 9.2072e-02, -1.9472e-01, 1.0304e-01, -6.3527e-02, -6.4433e-02, -1.3762e-02, -1.2209e-02, 1.1648e-01, 4.9233e-03, 1.2941e-01, 1.5836e-01, 5.7296e-02, 3.4366e-02, -8.1684e-02, -9.1430e-03, -1.0498e-01, -1.2477e-01, 2.3532e-02]])

[NH3+] [C@@H] ( C C C ( [O-] ) = O ) C ( = O ) [O-] . O = O . O

[NH4+] . O O . C ( C ( [O-] ) = O ) C C ( C ( [O-] ) = O ) = O

MTETPRDNSATRARWQTCLKLARELLLVGPDDKDLKLSYLHTLIDTGRLGPTHHPRKKILVIGAGITGLVAGRLLKDAGYDVTIIEANESRVGGRIKTFRATKHHQPFDDAAQYAEAGAMRLPDFHPLVLALVDKLGLGRRQFYNVDVGPSTGSGPEVPVPPVTYTSFTGQTWTNGDDSPDFREPDKRGNSWIRANRVQVRRADYTASPERINEGFHLTGDEVRAPVVKMVDDALESVRDYYSDVVDGKRVNKPFDEWVEGWARVIRDFDGYSMGGFLRDHAGLSDEAIEAVGTLENTSSRLHLSFFHSFLSRSDINPTVRYWEIPGGSWRLPHALHEGLRDEVRLGHRMIRLEYHDPSRDADPEGTAVGPDGWGVTVETVAENDPQAPPRRWTADLAIVTIPFSALRFVEIVPSMSYKKRRAIVETHYDSATKVLLEFSHRWWEFTEDDWREELERIAPGVYEYYRLGPEAAGEPARMPTLAEADAGLLGAAVKDSGVTEEMRQIGSTMPLRGPALRPATHSFGGGSATDNPNRFMYYPSHRVEGSTGGVVLASYSWSDDAARWDSMRSAERYVYALRNLQALHGRRIEVFFTGRGATKSWARDPYAFGEAAIYTAHQMTSFHLDASRPEGPVHFAGEHTSLKHAWIEGALEVHTA

tensor([[ 4.2410e-02, 2.2753e-02, -2.3839e-02, 4.0311e-03, -1.3776e-01, 3.1128e-03, 2.0717e-02, -1.0824e-01, -2.3739e-02, 1.6939e-02, -4.1470e-02, 3.4033e-02, 3.7464e-02, -1.2209e-02, -1.6660e-01, 4.1274e-02, -1.1752e-01, 1.0912e-01, -2.3030e-01, -8.9141e-02, 3.7190e-02, -2.8856e-02, -2.0546e-02, 6.2809e-03, -5.2148e-02, 2.2764e-01, 1.0352e-01, 1.6429e-01, -5.0330e-02, 4.6613e-02, -9.2674e-02, -1.7018e-02, 3.8806e-02, -1.1954e-01, -1.2490e-02, -1.9798e-01, 4.7418e-03, -4.3625e-02, -1.4846e-01, 3.9641e-02, 1.8230e-02, 2.2808e-02, -1.6154e-01, -1.1618e-01, -9.6250e-02, 1.2023e-01, 5.3188e+00, 1.1689e-01, 9.7385e-02, -4.5928e-02, 3.8236e-02, -1.8867e-02, -4.7633e-02, 1.7184e-02, 2.1075e-02, 9.0446e-02, 2.5433e-02, -3.5803e-02, -7.3574e-02, 1.9939e-02, -1.1423e-01, -1.4573e-02, 1.6360e-01, -5.9826e-02, -1.8796e-01, -1.4389e-01, -5.6053e-02, 3.6076e-03, -1.0074e-02, -2.7945e-02, 1.3877e-02, 5.9951e-02, 1.7474e-01, -2.8767e-02, 2.3652e-02, -3.3707e-02, -1.0210e-01, 4.7936e-02, 1.2616e-01, -3.7600e-02, 1.2365e-01, -3.9935e-02, -3.7746e-02, 2.1284e-02, 2.8164e-02, -6.3701e-02, 8.2236e-02, -1.5915e-02, 1.4719e-01, 1.0652e-01, -6.6528e-02, -2.8796e-02, -1.1905e-01, -1.0573e-01, -1.1742e-01, -1.2148e-01, -2.7667e-03, -4.7940e-03, -6.9362e-02, 1.4952e-01, 4.1816e-02, 4.1713e-03, 1.6497e-02, 2.3229e-02, 7.3937e-02, -9.7733e-02, 4.3763e-04, -3.3389e-03, -1.1933e-01, -1.4514e-01, -1.4610e-01, -7.4002e-02, -2.4697e-02, -9.4809e-02, -1.7932e-01, 7.7318e-02, 9.8179e-02, 1.0269e-01, 7.2653e-02, -3.2639e-02, -1.7694e-02, -4.4781e-02, -3.0464e-02, 5.4391e-02, -1.0435e-01, -1.6830e-02, 1.3017e-01, 1.1228e-02, 2.1681e-03, -3.6810e-02, -1.1055e-01, 7.8473e-02, -1.0394e-02, 2.0427e-01, 3.6995e-02, -6.7269e-02, 1.2945e-01, 1.2407e-01, 1.3015e-01, -2.1530e-02, 6.8405e-02, -3.0884e-02, -4.9975e-02, -1.9318e-02, 4.6660e-02, -8.6673e-02, 7.4218e-02, -3.4932e-02, 8.2703e-02, 1.8195e-02, 7.3778e-02, 8.4631e-02, 5.8568e-02, 1.0271e-01, 1.6820e-01, 1.0106e-01, -1.3006e-01, -9.0741e-02, 2.7913e-02, -1.4474e-02, 5.4681e-02, -5.9747e-02, 8.0176e-02, 4.5733e-02, -2.0115e-02, -8.4290e-02, 1.0610e-01, -8.7296e-02, 8.3197e-04, -7.5172e-02, -3.5019e-02, -1.4423e-02, 2.0913e-01, 1.0175e-01, -1.0056e-01, -8.3338e-03, 7.9791e-02, 7.1507e-02, 4.7636e-03, -1.0038e-01, 8.5546e-02, 3.3384e-03, -7.9063e-02, -1.5228e-03, 1.0324e-01, -1.4985e-01, 1.4633e-01, -2.1609e-02, -2.5680e-02, -5.6783e-02, 5.5169e-02, 9.8743e-02, 1.2977e-01, -2.3998e-02, -5.5934e-02, 6.1054e-02, -1.2202e-01, -9.8248e-02, -2.5612e-03, 2.6248e-01, 1.0283e-01, -3.3591e-02, 1.7690e-02, -6.6532e-02, 1.4589e-01, -4.8912e-02, -2.7999e-01, 3.4914e-02, 4.7135e-02, 1.2043e-01, -1.2369e-03, 1.5087e-01, -7.3656e-02, -8.8473e-02, 1.3198e-01, -1.0600e-01, 2.0100e-02, 2.3940e-03, 1.4242e-01, 1.1557e-01, -2.5967e-01, -4.1803e-02, -5.0444e-02, 2.2656e-02, -8.2571e-02, -4.9602e-02, 1.2901e-01, -4.1651e-03, 2.8854e-02, -8.9052e-02, 2.8803e-02, -1.2579e-01, 2.3819e-02, 1.8842e-01, 1.2346e-01, -1.0439e-01, -8.9655e-04, 5.2164e-02, 2.0049e-01, 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7.0346e-02, -7.4346e-02, 1.1764e-04, 1.1848e-02, -5.4344e-02, 1.5813e-01, 7.9260e-02, -1.5134e-01, 8.8006e-02, -6.6904e-02, -8.4037e-02, 9.7983e-02, -1.0593e-01, 2.0412e-01, 1.4425e-02, -5.4662e-03, 1.5164e-01, 2.4341e-02, 1.1958e-01, -1.4273e-01, -9.6070e-02, 7.7973e-02, -1.6899e-01, -1.3410e-01, -4.7682e-03, -5.1058e-03, -2.5496e-02, 1.2496e-01, 7.7969e-02, -2.3080e-02, 3.7615e-01, 4.6177e-02, -1.3456e-02, 6.7308e-02, -1.6651e-02, -1.4414e-01, 8.0278e-02, -4.9269e-02, 1.2337e-02, 3.3146e-02, -3.2776e-02, -3.7360e-03, -5.2911e-02, -9.5203e-02, 5.3948e-02, -8.5296e-02, 2.6928e-02, 6.4409e-02, 6.3102e-02, -3.4341e-03, 1.1593e-01, -3.9631e-02, 2.9357e-02, 3.5426e-02, -2.1356e-03, -1.7537e-01, 3.5163e-02, -8.6235e-02, 3.8006e-02, -1.3794e-01, -8.0320e-02, -1.8366e-02, -1.5105e-02, 3.2132e-02, 2.7386e-02, -8.0048e-02, -7.0493e-02, 6.8993e-02, -1.0222e-01, -9.2129e-03, 4.4316e-02, 6.0538e-02, 7.9982e-02, -2.3497e-02, 5.0703e-02, 1.0661e-01, -1.6548e-01, 1.9975e-02, -1.7394e-01, 1.4415e-01, -6.8688e-02, -6.6957e-02, 5.9617e-02, -9.1873e-03, -2.0932e-03, 3.5033e-02, -9.2695e-02, -2.1477e-02, 3.9410e-03, -5.1539e-02, -2.4572e-01, 4.6444e-02, 1.2987e-01, 9.1578e-04, -1.7151e-01, -1.5350e-01, -2.6854e-02, 1.0970e-01, 1.3005e-01, -7.3867e-02, -1.1111e-02, 1.4085e-02, -3.3473e-02, 2.2351e-01, -8.3775e-02, 1.1661e-01, -1.9508e-02, 1.9009e-01, 2.1185e-02, 5.4723e-03, -6.2611e-02, -7.8102e-02, -5.4863e-02, -1.6652e-02, 2.7040e-02, 4.7862e-02, -5.6813e-02, -8.2360e-02, 2.6233e-02, -6.7532e-02, 2.8751e-02, -1.2385e-01, 1.0187e-01, -6.9387e-02, -4.8022e-02, 1.2501e-03, 4.0470e-02, 1.8128e-01, -8.8309e-02, -8.0083e-03, -1.1354e-01, 4.5953e-02, 4.7947e-02, -1.0442e-01, 8.8085e-02, -4.3249e-02, 1.5581e-01, 2.1919e-02, -6.5022e-02, -3.9725e-01, 1.5726e-01, -1.1855e-01, -1.8063e+00, -5.3649e-02, 7.7014e-02, -1.5490e-01, 7.9891e-02, -7.9436e-02, 2.6459e-02, -2.2109e-01, 6.0864e-02, 5.1769e-02, -2.3158e-02, -1.1955e-01, -4.2288e-02, 1.1375e-01, -6.6145e-03, -9.7466e-02, -6.8485e-02, 3.8898e-03, 1.2703e-01, 1.1121e-01]])

O = C ( [O-] ) C ( = O ) C C C ( = O ) [O-] . O O . [NH4+]

O = O . [C@H] ( [NH3+] ) ( C C C ( = O ) [O-] ) C ( = O ) [O-] . O

MTETPRDNSATRARWQTCLKLARELLLVGPDDKDLKLSYLHTLIDTGRLGPTHHPRKKILVIGAGITGLVAGRLLKDAGYDVTIIEANESRVGGRIKTFRATKHHQPFDDAAQYAEAGAMRLPDFHPLVLALVDKLGLGRRQFYNVDVGPSTGSGPEVPVPPVTYTSFTGQTWTNGDDSPDFREPDKRGNSWIRANRVQVRRADYTASPERINEGFHLTGDEVRAPVVKMVDDALESVRDYYSDVVDGKRVNKPFDEWVEGWARVIRDFDGYSMGGFLRDHAGLSDEAIEAVGTLENTSSRLHLSFFHSFLSRSDINPTVRYWEIPGGSWRLPHALHEGLRDEVRLGHRMIRLEYHDPSRDADPEGTAVGPDGWGVTVETVAENDPQAPPRRWTADLAIVTIPFSALRFVEIVPSMSYKKRRAIVETHYDSATKVLLEFSHRWWEFTEDDWREELERIAPGVYEYYRLGPEAAGEPARMPTLAEADAGLLGAAVKDSGVTEEMRQIGSTMPLRGPALRPATHSFGGGSATDNPNRFMYYPSHRVEGSTGGVVLASYSWSDDAARWDSMRSAERYVYALRNLQALHGRRIEVFFTGRGATKSWARDPYAFGEAAIYTAHQMTSFHLDASRPEGPVHFAGEHTSLKHAWIEGALEVHTA

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3.8898e-03, 1.2703e-01, 1.1121e-01]])

O = O . [C@@H] ( [NH3+] ) ( C ( [O-] ) = O ) C C C ( [O-] ) = O . O

C ( C ( C ( [O-] ) = O ) = O ) C C ( [O-] ) = O . O O . [NH4+]

MTETPRDNSATRARWQTCLKLARELLLVGPDDKDLKLSYLHTLIDTGRLGPTHHPRKKILVIGAGITGLVAGRLLKDAGYDVTIIEANESRVGGRIKTFRATKHHQPFDDAAQYAEAGAMRLPDFHPLVLALVDKLGLGRRQFYNVDVGPSTGSGPEVPVPPVTYTSFTGQTWTNGDDSPDFREPDKRGNSWIRANRVQVRRADYTASPERINEGFHLTGDEVRAPVVKMVDDALESVRDYYSDVVDGKRVNKPFDEWVEGWARVIRDFDGYSMGGFLRDHAGLSDEAIEAVGTLENTSSRLHLSFFHSFLSRSDINPTVRYWEIPGGSWRLPHALHEGLRDEVRLGHRMIRLEYHDPSRDADPEGTAVGPDGWGVTVETVAENDPQAPPRRWTADLAIVTIPFSALRFVEIVPSMSYKKRRAIVETHYDSATKVLLEFSHRWWEFTEDDWREELERIAPGVYEYYRLGPEAAGEPARMPTLAEADAGLLGAAVKDSGVTEEMRQIGSTMPLRGPALRPATHSFGGGSATDNPNRFMYYPSHRVEGSTGGVVLASYSWSDDAARWDSMRSAERYVYALRNLQALHGRRIEVFFTGRGATKSWARDPYAFGEAAIYTAHQMTSFHLDASRPEGPVHFAGEHTSLKHAWIEGALEVHTA

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7.0346e-02, -7.4346e-02, 1.1764e-04, 1.1848e-02, -5.4344e-02, 1.5813e-01, 7.9260e-02, -1.5134e-01, 8.8006e-02, -6.6904e-02, -8.4037e-02, 9.7983e-02, -1.0593e-01, 2.0412e-01, 1.4425e-02, -5.4662e-03, 1.5164e-01, 2.4341e-02, 1.1958e-01, -1.4273e-01, -9.6070e-02, 7.7973e-02, -1.6899e-01, -1.3410e-01, -4.7682e-03, -5.1058e-03, -2.5496e-02, 1.2496e-01, 7.7969e-02, -2.3080e-02, 3.7615e-01, 4.6177e-02, -1.3456e-02, 6.7308e-02, -1.6651e-02, -1.4414e-01, 8.0278e-02, -4.9269e-02, 1.2337e-02, 3.3146e-02, -3.2776e-02, -3.7360e-03, -5.2911e-02, -9.5203e-02, 5.3948e-02, -8.5296e-02, 2.6928e-02, 6.4409e-02, 6.3102e-02, -3.4341e-03, 1.1593e-01, -3.9631e-02, 2.9357e-02, 3.5426e-02, -2.1356e-03, -1.7537e-01, 3.5163e-02, -8.6235e-02, 3.8006e-02, -1.3794e-01, -8.0320e-02, -1.8366e-02, -1.5105e-02, 3.2132e-02, 2.7386e-02, -8.0048e-02, -7.0493e-02, 6.8993e-02, -1.0222e-01, -9.2129e-03, 4.4316e-02, 6.0538e-02, 7.9982e-02, -2.3497e-02, 5.0703e-02, 1.0661e-01, -1.6548e-01, 1.9975e-02, -1.7394e-01, 1.4415e-01, -6.8688e-02, -6.6957e-02, 5.9617e-02, -9.1873e-03, -2.0932e-03, 3.5033e-02, -9.2695e-02, -2.1477e-02, 3.9410e-03, -5.1539e-02, -2.4572e-01, 4.6444e-02, 1.2987e-01, 9.1578e-04, -1.7151e-01, -1.5350e-01, -2.6854e-02, 1.0970e-01, 1.3005e-01, -7.3867e-02, -1.1111e-02, 1.4085e-02, -3.3473e-02, 2.2351e-01, -8.3775e-02, 1.1661e-01, -1.9508e-02, 1.9009e-01, 2.1185e-02, 5.4723e-03, -6.2611e-02, -7.8102e-02, -5.4863e-02, -1.6652e-02, 2.7040e-02, 4.7862e-02, -5.6813e-02, -8.2360e-02, 2.6233e-02, -6.7532e-02, 2.8751e-02, -1.2385e-01, 1.0187e-01, -6.9387e-02, -4.8022e-02, 1.2501e-03, 4.0470e-02, 1.8128e-01, -8.8309e-02, -8.0083e-03, -1.1354e-01, 4.5953e-02, 4.7947e-02, -1.0442e-01, 8.8085e-02, -4.3249e-02, 1.5581e-01, 2.1919e-02, -6.5022e-02, -3.9725e-01, 1.5726e-01, -1.1855e-01, -1.8063e+00, -5.3649e-02, 7.7014e-02, -1.5490e-01, 7.9891e-02, -7.9436e-02, 2.6459e-02, -2.2109e-01, 6.0864e-02, 5.1769e-02, -2.3158e-02, -1.1955e-01, -4.2288e-02, 1.1375e-01, -6.6145e-03, -9.7466e-02, -6.8485e-02, 3.8898e-03, 1.2703e-01, 1.1121e-01]])

[NH4+] . O O . [O-] C ( C ( = O ) C C C ( [O-] ) = O ) = O

C ( C C ( = O ) [O-] ) [C@@H] ( C ( [O-] ) = O ) [NH3+] . O = O . O

MTETPRDNSATRARWQTCLKLARELLLVGPDDKDLKLSYLHTLIDTGRLGPTHHPRKKILVIGAGITGLVAGRLLKDAGYDVTIIEANESRVGGRIKTFRATKHHQPFDDAAQYAEAGAMRLPDFHPLVLALVDKLGLGRRQFYNVDVGPSTGSGPEVPVPPVTYTSFTGQTWTNGDDSPDFREPDKRGNSWIRANRVQVRRADYTASPERINEGFHLTGDEVRAPVVKMVDDALESVRDYYSDVVDGKRVNKPFDEWVEGWARVIRDFDGYSMGGFLRDHAGLSDEAIEAVGTLENTSSRLHLSFFHSFLSRSDINPTVRYWEIPGGSWRLPHALHEGLRDEVRLGHRMIRLEYHDPSRDADPEGTAVGPDGWGVTVETVAENDPQAPPRRWTADLAIVTIPFSALRFVEIVPSMSYKKRRAIVETHYDSATKVLLEFSHRWWEFTEDDWREELERIAPGVYEYYRLGPEAAGEPARMPTLAEADAGLLGAAVKDSGVTEEMRQIGSTMPLRGPALRPATHSFGGGSATDNPNRFMYYPSHRVEGSTGGVVLASYSWSDDAARWDSMRSAERYVYALRNLQALHGRRIEVFFTGRGATKSWARDPYAFGEAAIYTAHQMTSFHLDASRPEGPVHFAGEHTSLKHAWIEGALEVHTA

tensor([[ 4.2410e-02, 2.2753e-02, -2.3839e-02, 4.0311e-03, -1.3776e-01, 3.1128e-03, 2.0717e-02, -1.0824e-01, -2.3739e-02, 1.6939e-02, -4.1470e-02, 3.4033e-02, 3.7464e-02, -1.2209e-02, -1.6660e-01, 4.1274e-02, -1.1752e-01, 1.0912e-01, -2.3030e-01, -8.9141e-02, 3.7190e-02, -2.8856e-02, -2.0546e-02, 6.2809e-03, -5.2148e-02, 2.2764e-01, 1.0352e-01, 1.6429e-01, -5.0330e-02, 4.6613e-02, -9.2674e-02, -1.7018e-02, 3.8806e-02, -1.1954e-01, -1.2490e-02, -1.9798e-01, 4.7418e-03, -4.3625e-02, -1.4846e-01, 3.9641e-02, 1.8230e-02, 2.2808e-02, -1.6154e-01, -1.1618e-01, -9.6250e-02, 1.2023e-01, 5.3188e+00, 1.1689e-01, 9.7385e-02, -4.5928e-02, 3.8236e-02, -1.8867e-02, -4.7633e-02, 1.7184e-02, 2.1075e-02, 9.0446e-02, 2.5433e-02, -3.5803e-02, -7.3574e-02, 1.9939e-02, -1.1423e-01, -1.4573e-02, 1.6360e-01, -5.9826e-02, -1.8796e-01, -1.4389e-01, -5.6053e-02, 3.6076e-03, -1.0074e-02, -2.7945e-02, 1.3877e-02, 5.9951e-02, 1.7474e-01, -2.8767e-02, 2.3652e-02, -3.3707e-02, -1.0210e-01, 4.7936e-02, 1.2616e-01, 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3.8898e-03, 1.2703e-01, 1.1121e-01]])

O = C ( C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) [O-] . O = O . O

[NH4+] . O O . C ( = O ) ( C C C ( = O ) [O-] ) C ( = O ) [O-]

MTTDTARRHTGAERANEMTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGRDGHHGELTGPGGPAVAIQTVPEGEPYAATQTWTGDLAIVTIPFSSLRFVKVTPPFSYKKRRAVIETHYDQATKVLLEFSRRWWEFTEADWKRELDAIAPGLYDYYQQWGEDDAEAALALPQSVRNLPTGLLGAHPSVDESRIGEEQVEYYRNSELRGGVRPATNAYGGGSTTDNPNRFMYYPSHPVPGTQGGVVLAAYSWSDDAARWDSFDDAERYGYALENLQSVHGRRIEVFYTGAGQTQSWLRDPYACGEAAVYTPHQMTAFHLDVVRPEGPVYFAGEHVSLKHAWIEGAVETAVRAAIAVNEAPVGDTGVTAAAGRRGAAAATEPMREEALTS

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-7.1736e-03, 1.1417e-01, 7.3952e-02]])

[NH4+] . O O . O = C ( C ( = O ) C C C ( = O ) [O-] ) [O-]

[NH3+] [C@@H] ( C C C ( = O ) [O-] ) C ( = O ) [O-] . O = O . O

MTTDTARRHTGAERANEMTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGRDGHHGELTGPGGPAVAIQTVPEGEPYAATQTWTGDLAIVTIPFSSLRFVKVTPPFSYKKRRAVIETHYDQATKVLLEFSRRWWEFTEADWKRELDAIAPGLYDYYQQWGEDDAEAALALPQSVRNLPTGLLGAHPSVDESRIGEEQVEYYRNSELRGGVRPATNAYGGGSTTDNPNRFMYYPSHPVPGTQGGVVLAAYSWSDDAARWDSFDDAERYGYALENLQSVHGRRIEVFYTGAGQTQSWLRDPYACGEAAVYTPHQMTAFHLDVVRPEGPVYFAGEHVSLKHAWIEGAVETAVRAAIAVNEAPVGDTGVTAAAGRRGAAAATEPMREEALTS

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7.7398e-02, -7.7151e-02, 1.5454e-02, 3.2438e-02, -7.0383e-02, 1.3207e-01, 6.5598e-02, -1.0995e-01, 9.2279e-02, -5.7279e-02, -9.3244e-02, 9.2850e-02, -5.7041e-02, 2.5632e-01, 2.9554e-02, -3.9195e-02, 1.4863e-01, 5.4122e-02, 9.8735e-02, -1.3212e-01, -8.0937e-02, 4.1648e-02, -1.4981e-01, -1.4336e-01, 3.2166e-02, 1.1658e-02, -1.8693e-02, 1.4839e-01, 1.0317e-01, -7.6861e-03, 3.4454e-01, 3.1018e-02, -1.2254e-02, 9.9453e-02, -3.2505e-02, -1.6478e-01, 9.3088e-02, -6.7000e-02, -1.8775e-02, 1.8992e-02, -4.0456e-02, 2.9022e-03, -3.6658e-02, -9.5971e-02, 5.5292e-02, -5.1080e-02, 5.4333e-02, 1.1270e-01, 5.4705e-02, -3.6652e-02, 8.2643e-02, -1.4930e-02, 6.3068e-03, 3.3866e-02, 8.2474e-03, -2.0824e-01, 4.2576e-02, -1.1477e-01, 4.1052e-02, -1.2018e-01, -9.2068e-02, 1.3833e-02, -3.0899e-02, 5.8211e-03, 3.8327e-02, -8.1532e-02, -9.0092e-02, 5.0616e-02, -8.4223e-02, 3.5213e-02, 1.0084e-02, 9.0319e-02, 1.0048e-01, -2.3989e-02, 3.2548e-02, 1.0969e-01, -1.4098e-01, 2.0308e-03, -2.0062e-01, 1.0961e-01, 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-7.1736e-03, 1.1417e-01, 7.3952e-02]])

C ( [O-] ) ( = O ) C C [C@@H] ( C ( [O-] ) = O ) [NH3+] . O = O . O

[NH4+] . O O . C ( [O-] ) ( C ( = O ) C C C ( [O-] ) = O ) = O

MTTDTARRHTGAERANEMTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGRDGHHGELTGPGGPAVAIQTVPEGEPYAATQTWTGDLAIVTIPFSSLRFVKVTPPFSYKKRRAVIETHYDQATKVLLEFSRRWWEFTEADWKRELDAIAPGLYDYYQQWGEDDAEAALALPQSVRNLPTGLLGAHPSVDESRIGEEQVEYYRNSELRGGVRPATNAYGGGSTTDNPNRFMYYPSHPVPGTQGGVVLAAYSWSDDAARWDSFDDAERYGYALENLQSVHGRRIEVFYTGAGQTQSWLRDPYACGEAAVYTPHQMTAFHLDVVRPEGPVYFAGEHVSLKHAWIEGAVETAVRAAIAVNEAPVGDTGVTAAAGRRGAAAATEPMREEALTS

tensor([[ 6.3408e-02, 2.9251e-02, -6.6467e-03, 3.6622e-02, -9.7829e-02, -9.0234e-03, 1.2775e-02, -1.1028e-01, -8.4537e-02, 3.6109e-02, -3.9133e-02, 4.1898e-02, -6.3625e-03, 1.8361e-02, -8.2583e-02, 5.9485e-02, -7.2219e-02, 8.6066e-02, -2.0064e-01, -4.0410e-02, 1.0677e-02, -1.0604e-02, 4.1660e-03, -1.4844e-02, -8.0093e-02, 1.5054e-01, 7.5385e-02, 1.3809e-01, -6.2101e-02, 4.0955e-02, -8.1695e-02, 8.2775e-03, 3.2312e-02, -1.1202e-01, -8.7545e-03, -2.0032e-01, 2.7138e-02, -6.4479e-02, -1.8710e-01, 1.3835e-02, 8.8520e-03, 2.2753e-02, -1.2028e-01, -1.6483e-01, -1.0283e-01, 1.3705e-01, 5.1342e+00, 6.8198e-02, 1.0722e-01, -5.4038e-02, 8.0768e-02, -1.4621e-02, -5.6121e-02, 3.6858e-02, 3.2561e-02, 8.2374e-02, 4.2886e-02, -1.2939e-02, -2.5559e-02, 2.6136e-02, -1.3244e-01, 1.5424e-03, 1.5047e-01, -2.6521e-02, -2.0484e-01, -1.2815e-01, -5.2192e-02, -1.9338e-02, -3.4768e-02, 4.1726e-04, -3.2120e-03, 5.9641e-02, 2.0638e-01, -6.1212e-02, 7.8036e-03, -3.6326e-02, -1.0895e-01, 2.6745e-02, 1.2231e-01, 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-7.1736e-03, 1.1417e-01, 7.3952e-02]])

O O . C ( C C C ( = O ) [O-] ) ( C ( [O-] ) = O ) = O . [NH4+]

[O-] C ( = O ) C C [C@H] ( [NH3+] ) C ( = O ) [O-] . O . O = O

MTTDTARRHTGAERANEMTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGRDGHHGELTGPGGPAVAIQTVPEGEPYAATQTWTGDLAIVTIPFSSLRFVKVTPPFSYKKRRAVIETHYDQATKVLLEFSRRWWEFTEADWKRELDAIAPGLYDYYQQWGEDDAEAALALPQSVRNLPTGLLGAHPSVDESRIGEEQVEYYRNSELRGGVRPATNAYGGGSTTDNPNRFMYYPSHPVPGTQGGVVLAAYSWSDDAARWDSFDDAERYGYALENLQSVHGRRIEVFYTGAGQTQSWLRDPYACGEAAVYTPHQMTAFHLDVVRPEGPVYFAGEHVSLKHAWIEGAVETAVRAAIAVNEAPVGDTGVTAAAGRRGAAAATEPMREEALTS

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[O-] C ( C C [C@H] ( [NH3+] ) C ( = O ) [O-] ) = O . O . O = O

O O . O = C ( C C C ( C ( [O-] ) = O ) = O ) [O-] . [NH4+]

MAFTRRSFMKGLGATGGAGLAYGAMSTLGLAPSTAAPARTFQPLAAGDLIGKVKGSHSVVVLGGGPAGLCSAFELQKAGYKVTVLEARTRPGGRVWTARGGSEETDLSGETQKCTFSEGHFYNVGATRIPQSHITLDYCRELGVEIQGFGNQNANTFVNYQSDTSLSGQSVTYRAAKADTFGYMSELLKKATDQGALDQVLSREDKDALSEFLSDFGDLSDDGRYLGSSRRGYDSEPGAGLNFGTEKKPFAMQEVIRSGIGRNFSFDFGYDQAMMMFTPVGGMDRIYYAFQDRIGTDNIVFGAEVTSMKNVSEGVTVEYTAGGSKKSITADYAICTIPPHLVGRLQNNLPGDVLTALKAAKPSSSGKLGIEYSRRWWETEDRIYGGASNTDKDISQIMFPYDHYNSDRGVVVAYYSSGKRQEAFESLTHRQRLAKAIAEGSEIHGEKYTRDISSSFSGSWRRTKYSESAWANWAGSGGSHGGAATPEYEKLLEPVDKIYFAGDHLSNAIAWQHGALTSARDVVTHIHERVAQEA

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1.8642e-03, 7.1161e-02, 1.3243e-01]])

O = C ( C C C ( = O ) [O-] ) C ( = O ) [O-] . [NH4+] . O O

C ( [O-] ) ( [C@@H] ( [NH3+] ) C C C ( [O-] ) = O ) = O . O . O = O

MAFTRRSFMKGLGATGGAGLAYGAMSTLGLAPSTAAPARTFQPLAAGDLIGKVKGSHSVVVLGGGPAGLCSAFELQKAGYKVTVLEARTRPGGRVWTARGGSEETDLSGETQKCTFSEGHFYNVGATRIPQSHITLDYCRELGVEIQGFGNQNANTFVNYQSDTSLSGQSVTYRAAKADTFGYMSELLKKATDQGALDQVLSREDKDALSEFLSDFGDLSDDGRYLGSSRRGYDSEPGAGLNFGTEKKPFAMQEVIRSGIGRNFSFDFGYDQAMMMFTPVGGMDRIYYAFQDRIGTDNIVFGAEVTSMKNVSEGVTVEYTAGGSKKSITADYAICTIPPHLVGRLQNNLPGDVLTALKAAKPSSSGKLGIEYSRRWWETEDRIYGGASNTDKDISQIMFPYDHYNSDRGVVVAYYSSGKRQEAFESLTHRQRLAKAIAEGSEIHGEKYTRDISSSFSGSWRRTKYSESAWANWAGSGGSHGGAATPEYEKLLEPVDKIYFAGDHLSNAIAWQHGALTSARDVVTHIHERVAQEA

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1.8642e-03, 7.1161e-02, 1.3243e-01]])

[O-] C ( C C [C@@H] ( C ( = O ) [O-] ) [NH3+] ) = O . O . O = O

C ( C ( C ( = O ) [O-] ) = O ) C C ( = O ) [O-] . [NH4+] . O O

MTEDHAVVRSDGGLSRRSFAAVAGTATVATALTSGVAAALPAPAASGDSRGADFDRCLAVARALLVLDSDDRPLVPRYQSVLQKGLPAQRRTRPKNVLVIGAGPAGLVAAWLLKRAGHRVTVLEANGNRAGGRVKTFRSGGHERAEQPFADPRQYAEAGAMRIPGSHPLVMELIDQFELKKRRFHYVDVDSEGRPANRTWIHVNGIRVRRADYARAPRRVNRSFGVPRAHWDTPAAAILRSVLDPVRDEFSRVGRDGKRVDKPLPERLQGWARVVQRFGDWSMFRFLTEHAGLDERTIDLIGTLENLTSRLPLSFIHSFIGSSLISPDTPFYELEGGTAVLPDALLERVRKDVRFDRRVTRIQYHHPDRPSPDVEQVRSKGPHVWVDTVSEGRDGPVVREQFTADVAVVTVPFSGLRHVQIAPPLSYGKRRAVCELHYDSATKVLLEFSRRWWEFDEADWKRELRAVDPGLYDAYRTGRAAADGSLLGAHPSVPAGHITAGQRTHYAANRAVARDQPEAVDVVGGGSVSDNANRFMFHPSHPVPGSAGGVVLASYSWADDALRWDSLDDEARYPHALCGLQQVYGQRIEVFYTGAGRTQSWLRDPYAYGEASVLLPGQHTELLSAIPVAEGPLHFAGDHTSVKPAWIEGAVESAVRAALEIHTA

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[NH4+] . O O . C ( [O-] ) ( = O ) C ( = O ) C C C ( [O-] ) = O

[NH3+] [C@H] ( C ( = O ) [O-] ) C C C ( = O ) [O-] . O . O = O

MTEDHAVVRSDGGLSRRSFAAVAGTATVATALTSGVAAALPAPAASGDSRGADFDRCLAVARALLVLDSDDRPLVPRYQSVLQKGLPAQRRTRPKNVLVIGAGPAGLVAAWLLKRAGHRVTVLEANGNRAGGRVKTFRSGGHERAEQPFADPRQYAEAGAMRIPGSHPLVMELIDQFELKKRRFHYVDVDSEGRPANRTWIHVNGIRVRRADYARAPRRVNRSFGVPRAHWDTPAAAILRSVLDPVRDEFSRVGRDGKRVDKPLPERLQGWARVVQRFGDWSMFRFLTEHAGLDERTIDLIGTLENLTSRLPLSFIHSFIGSSLISPDTPFYELEGGTAVLPDALLERVRKDVRFDRRVTRIQYHHPDRPSPDVEQVRSKGPHVWVDTVSEGRDGPVVREQFTADVAVVTVPFSGLRHVQIAPPLSYGKRRAVCELHYDSATKVLLEFSRRWWEFDEADWKRELRAVDPGLYDAYRTGRAAADGSLLGAHPSVPAGHITAGQRTHYAANRAVARDQPEAVDVVGGGSVSDNANRFMFHPSHPVPGSAGGVVLASYSWADDALRWDSLDDEARYPHALCGLQQVYGQRIEVFYTGAGRTQSWLRDPYAYGEASVLLPGQHTELLSAIPVAEGPLHFAGDHTSVKPAWIEGAVESAVRAALEIHTA

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1.1805e-01, 6.3975e-02]])

[O-] C ( = O ) C C [C@H] ( [NH3+] ) C ( = O ) [O-] . O . O = O

[NH4+] . O O . C ( = O ) ( [O-] ) C ( = O ) C C C ( [O-] ) = O

MTEDHAVVRSDGGLSRRSFAAVAGTATVATALTSGVAAALPAPAASGDSRGADFDRCLAVARALLVLDSDDRPLVPRYQSVLQKGLPAQRRTRPKNVLVIGAGPAGLVAAWLLKRAGHRVTVLEANGNRAGGRVKTFRSGGHERAEQPFADPRQYAEAGAMRIPGSHPLVMELIDQFELKKRRFHYVDVDSEGRPANRTWIHVNGIRVRRADYARAPRRVNRSFGVPRAHWDTPAAAILRSVLDPVRDEFSRVGRDGKRVDKPLPERLQGWARVVQRFGDWSMFRFLTEHAGLDERTIDLIGTLENLTSRLPLSFIHSFIGSSLISPDTPFYELEGGTAVLPDALLERVRKDVRFDRRVTRIQYHHPDRPSPDVEQVRSKGPHVWVDTVSEGRDGPVVREQFTADVAVVTVPFSGLRHVQIAPPLSYGKRRAVCELHYDSATKVLLEFSRRWWEFDEADWKRELRAVDPGLYDAYRTGRAAADGSLLGAHPSVPAGHITAGQRTHYAANRAVARDQPEAVDVVGGGSVSDNANRFMFHPSHPVPGSAGGVVLASYSWADDALRWDSLDDEARYPHALCGLQQVYGQRIEVFYTGAGRTQSWLRDPYAYGEASVLLPGQHTELLSAIPVAEGPLHFAGDHTSVKPAWIEGAVESAVRAALEIHTA

tensor([[ 8.7998e-02, 4.3106e-02, -1.4736e-02, 4.3539e-02, -5.6626e-02, -1.4652e-03, 5.3827e-03, -9.4217e-02, -4.8025e-02, -2.5016e-02, -8.0374e-02, 4.9828e-02, 6.6759e-02, 1.7690e-02, -1.6003e-01, 6.3960e-02, -1.2825e-01, 5.2555e-02, -2.8652e-01, -1.4764e-01, 5.6719e-02, -5.3327e-03, -7.0862e-02, -2.3610e-02, -1.0796e-01, 2.5725e-01, 8.0585e-02, 1.5178e-01, -7.1760e-03, 3.6559e-02, -1.1519e-01, 2.2713e-02, 9.4337e-02, -8.2612e-02, 2.8516e-02, -1.6057e-01, -1.1664e-03, -1.3967e-02, -1.4868e-01, 5.5907e-02, 6.0200e-02, 1.9380e-02, -1.8037e-01, -1.4597e-01, -1.0355e-01, 1.1887e-01, 5.0793e+00, 1.5317e-01, 6.3858e-02, -1.0337e-01, 5.0266e-02, 1.5570e-02, 5.6724e-03, -5.9353e-03, 5.0285e-02, 3.1300e-02, 1.5061e-02, -6.6566e-02, -7.7384e-02, -3.7985e-03, -8.6236e-02, -6.8024e-02, 1.7782e-01, -1.0836e-01, -2.2928e-01, -1.2758e-01, -2.9810e-02, 1.0890e-02, -4.0829e-02, -8.8679e-02, -2.9842e-02, 6.8643e-02, 2.2108e-01, 3.3554e-02, 1.6335e-02, -4.8810e-02, -6.6706e-02, 4.2118e-02, 1.5241e-01, 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1.1805e-01, 6.3975e-02]])

C ( C C C ( = O ) [O-] ) ( C ( = O ) [O-] ) = O . O O . [NH4+]

O = O . [NH3+] [C@@H] ( C C C ( [O-] ) = O ) C ( [O-] ) = O . O

MTEDHAVVRSDGGLSRRSFAAVAGTATVATALTSGVAAALPAPAASGDSRGADFDRCLAVARALLVLDSDDRPLVPRYQSVLQKGLPAQRRTRPKNVLVIGAGPAGLVAAWLLKRAGHRVTVLEANGNRAGGRVKTFRSGGHERAEQPFADPRQYAEAGAMRIPGSHPLVMELIDQFELKKRRFHYVDVDSEGRPANRTWIHVNGIRVRRADYARAPRRVNRSFGVPRAHWDTPAAAILRSVLDPVRDEFSRVGRDGKRVDKPLPERLQGWARVVQRFGDWSMFRFLTEHAGLDERTIDLIGTLENLTSRLPLSFIHSFIGSSLISPDTPFYELEGGTAVLPDALLERVRKDVRFDRRVTRIQYHHPDRPSPDVEQVRSKGPHVWVDTVSEGRDGPVVREQFTADVAVVTVPFSGLRHVQIAPPLSYGKRRAVCELHYDSATKVLLEFSRRWWEFDEADWKRELRAVDPGLYDAYRTGRAAADGSLLGAHPSVPAGHITAGQRTHYAANRAVARDQPEAVDVVGGGSVSDNANRFMFHPSHPVPGSAGGVVLASYSWADDALRWDSLDDEARYPHALCGLQQVYGQRIEVFYTGAGRTQSWLRDPYAYGEASVLLPGQHTELLSAIPVAEGPLHFAGDHTSVKPAWIEGAVESAVRAALEIHTA

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1.1805e-01, 6.3975e-02]])

O = O . C ( = O ) ( C C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) [O-] . O

C ( C ( [O-] ) = O ) C C ( = O ) C ( [O-] ) = O . O O . [NH4+]

MTTDTARRHTGAERANEMTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGRDGHHGELTGPGGPAVAIQTVPEGEPYAATQTWTGDLAIVTIPFSSLRFVKVTPPFSYKKRRAVIETHYDQATKVLLEFSRRWWEFTEADWKRELDAIAPGLYDYYQQWGEDDAEAALALPQSVRNLPTGLLGAHPSVDESRIGEEQVEYYRNSELRGGVRPATNAYGGGSTTDNPNRFMYYPSHPVPGTQGGVVLAAYSWSDDAARWDSFDDAERYGYALENLQSVHGRRIEVFYTGAGQTQSWLRDPYACGEAAVYTPHQMTAFHLDVVRPEGPVYFAGEHVSLKHAWIEGAVETAVRAAIAVNEAPVGDTGVTAAAGRRGAAAATEPMREEALTS

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-7.1736e-03, 1.1417e-01, 7.3952e-02]])

[NH4+] . O = C ( C C C ( = O ) C ( = O ) [O-] ) [O-] . O O

O . O = O . C ( C C ( = O ) [O-] ) [C@H] ( [NH3+] ) C ( [O-] ) = O

MTTDTARRHTGAERANEMTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGRDGHHGELTGPGGPAVAIQTVPEGEPYAATQTWTGDLAIVTIPFSSLRFVKVTPPFSYKKRRAVIETHYDQATKVLLEFSRRWWEFTEADWKRELDAIAPGLYDYYQQWGEDDAEAALALPQSVRNLPTGLLGAHPSVDESRIGEEQVEYYRNSELRGGVRPATNAYGGGSTTDNPNRFMYYPSHPVPGTQGGVVLAAYSWSDDAARWDSFDDAERYGYALENLQSVHGRRIEVFYTGAGQTQSWLRDPYACGEAAVYTPHQMTAFHLDVVRPEGPVYFAGEHVSLKHAWIEGAVETAVRAAIAVNEAPVGDTGVTAAAGRRGAAAATEPMREEALTS

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-7.1736e-03, 1.1417e-01, 7.3952e-02]])

O . O = O . O = C ( [C@@H] ( [NH3+] ) C C C ( [O-] ) = O ) [O-]

[NH4+] . [O-] C ( C C C ( = O ) C ( [O-] ) = O ) = O . O O

MTTDTARRHTGAERANEMTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGRDGHHGELTGPGGPAVAIQTVPEGEPYAATQTWTGDLAIVTIPFSSLRFVKVTPPFSYKKRRAVIETHYDQATKVLLEFSRRWWEFTEADWKRELDAIAPGLYDYYQQWGEDDAEAALALPQSVRNLPTGLLGAHPSVDESRIGEEQVEYYRNSELRGGVRPATNAYGGGSTTDNPNRFMYYPSHPVPGTQGGVVLAAYSWSDDAARWDSFDDAERYGYALENLQSVHGRRIEVFYTGAGQTQSWLRDPYACGEAAVYTPHQMTAFHLDVVRPEGPVYFAGEHVSLKHAWIEGAVETAVRAAIAVNEAPVGDTGVTAAAGRRGAAAATEPMREEALTS

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O O . [NH4+] . C ( C C C ( C ( = O ) [O-] ) = O ) ( [O-] ) = O

O = O . O . O = C ( C C [C@H] ( [NH3+] ) C ( = O ) [O-] ) [O-]

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-7.1736e-03, 1.1417e-01, 7.3952e-02]])

O = O . O . C ( = O ) ( [O-] ) [C@H] ( C C C ( [O-] ) = O ) [NH3+]

O O . [NH4+] . C ( C ( [O-] ) = O ) C C ( = O ) C ( [O-] ) = O

MTTDTARRHTGAERANEMTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGRDGHHGELTGPGGPAVAIQTVPEGEPYAATQTWTGDLAIVTIPFSSLRFVKVTPPFSYKKRRAVIETHYDQATKVLLEFSRRWWEFTEADWKRELDAIAPGLYDYYQQWGEDDAEAALALPQSVRNLPTGLLGAHPSVDESRIGEEQVEYYRNSELRGGVRPATNAYGGGSTTDNPNRFMYYPSHPVPGTQGGVVLAAYSWSDDAARWDSFDDAERYGYALENLQSVHGRRIEVFYTGAGQTQSWLRDPYACGEAAVYTPHQMTAFHLDVVRPEGPVYFAGEHVSLKHAWIEGAVETAVRAAIAVNEAPVGDTGVTAAAGRRGAAAATEPMREEALTS

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-7.1736e-03, 1.1417e-01, 7.3952e-02]])

O O . [NH4+] . O = C ( C ( = O ) C C C ( [O-] ) = O ) [O-]

C ( C [C@@H] ( C ( [O-] ) = O ) [NH3+] ) C ( [O-] ) = O . O = O . O

MTTDTARRHTGAERANEMTYEQLARELLLVGPAPTNEDLKLRYLDVLIDNGLNPPGPPKRILIVGAGIAGLVAGDLLTRAGHDVTILEANANRVGGRIKTFHAKKGEPSPFADPAQYAEAGAMRLPSFHPLTLALIDKLGLKRRLFFNVDIDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRNHTWIRTNREQVRRAQYATDPSSINEGFHLTGCETRLTVSDMVNQALEPVRDYYSVKQDDGTRVNKPFKEWLAGWADVVRDFDGYSMGRFLREYAEFSDEAVEAIGTIENMTSRLHLAFFHSFLGRSDIDPRATYWEIEGGSRMLPETLAKDLRDQIVMGQRMVRLEYYDPGRDGHHGELTGPGGPAVAIQTVPEGEPYAATQTWTGDLAIVTIPFSSLRFVKVTPPFSYKKRRAVIETHYDQATKVLLEFSRRWWEFTEADWKRELDAIAPGLYDYYQQWGEDDAEAALALPQSVRNLPTGLLGAHPSVDESRIGEEQVEYYRNSELRGGVRPATNAYGGGSTTDNPNRFMYYPSHPVPGTQGGVVLAAYSWSDDAARWDSFDDAERYGYALENLQSVHGRRIEVFYTGAGQTQSWLRDPYACGEAAVYTPHQMTAFHLDVVRPEGPVYFAGEHVSLKHAWIEGAVETAVRAAIAVNEAPVGDTGVTAAAGRRGAAAATEPMREEALTS

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C ( C C C ( = O ) [O-] ) [NH3+] . O = C ( C = O ) [O-]

C ( C C = O ) C ( [O-] ) = O . [O-] C ( C [NH3+] ) = O

MAKTNGFMGHDMLAPFTAAWMIDMGPLVIDKAEGSYVYGVNGKKYLDSLSGLWCTVLGGSEPRLIEAASKQLNKSAFYHSFWNRTTKPSLDLAKELINMFTANKMGKVFFTSSGSEANDTQVKLVWYYNNAIGRPNKKKIISRKNAYHGSTYMTAGLSGLPSLHLKFDLPPPYILHTDCPHYWNYHLPGETEEEYSTRLANNLENLILKEGPETVAAFIAEPVMGGAGVIIPPATYFEKIQAVLKKYDILFIADEVICGFGRLGTMFGCDKYNIKPDLVSIAKALSGGYIPIGAVLVSEEISKVIMSQSNQLGVFCHGFTYSGHPVACAVALEALKIYKEKNITEVVNKLSPKLQEGLKAFIDSPIIGEIRGTGLVLSTEFVDNKSPNDPFPPEWGVGTYFGSQCQKHGMLVSFSGDHVNMAPPFTLSLEELDEMISIYGKALKDTEKRVEELKSQKK

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-9.1814e-03, 1.2522e-01]])

[O-] C ( C [NH3+] ) = O . C ( C ( [O-] ) = O ) C C = O

C ( [O-] ) ( C C C [NH3+] ) = O . [O-] C ( = O ) C = O

MAKTNGFMGHDMLAPFTAAWMIDMGPLVIDKAEGSYVYGVNGKKYLDSLSGLWCTVLGGSEPRLIEAASKQLNKSAFYHSFWNRTTKPSLDLAKELINMFTANKMGKVFFTSSGSEANDTQVKLVWYYNNAIGRPNKKKIISRKNAYHGSTYMTAGLSGLPSLHLKFDLPPPYILHTDCPHYWNYHLPGETEEEYSTRLANNLENLILKEGPETVAAFIAEPVMGGAGVIIPPATYFEKIQAVLKKYDILFIADEVICGFGRLGTMFGCDKYNIKPDLVSIAKALSGGYIPIGAVLVSEEISKVIMSQSNQLGVFCHGFTYSGHPVACAVALEALKIYKEKNITEVVNKLSPKLQEGLKAFIDSPIIGEIRGTGLVLSTEFVDNKSPNDPFPPEWGVGTYFGSQCQKHGMLVSFSGDHVNMAPPFTLSLEELDEMISIYGKALKDTEKRVEELKSQKK

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-9.1814e-03, 1.2522e-01]])

C ( [NH3+] ) C C C ( [O-] ) = O . C ( [O-] ) ( C = O ) = O

[NH3+] C C ( [O-] ) = O . C ( C ( = O ) [O-] ) C C = O

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C ( = O ) C C C ( = O ) [O-] . C ( = O ) ( C [NH3+] ) [O-]

[O-] C ( = O ) C = O . C ( C [NH3+] ) C C ( = O ) [O-]

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-9.1814e-03, 1.2522e-01]])

C ( C ( = O ) [O-] ) = O . C ( C ( [O-] ) = O ) C C [NH3+]

C ( C C C = O ) ( [O-] ) = O . C ( C [NH3+] ) ( [O-] ) = O

MVIARGLLRSNASSSSSQAINLLKYVTSTGSLQGHTQNLCDASTRHFSSVPSPQSNSTEENGFKGHGMLAPFTAGWQSTDVHPLVIERSEGSYVYDIDGKKYLDSLAGLWCTALGGSEPRLAKAATEQLHKLPFYHSFWNRTTKPSLDLAKELLSMFTAREMGKVFFTNSGSEANDSQVKLVWYYNNALGRPDKKKFIARSKSYHGSTLISASLSGLPALHQKFDLPAPFVLHTDCPHYWRFHLPGETEEEFATRLANNLEELILKEGPETIAAFIAEPVMGAGGVIPPPKTYFEKVQAIVKKYDILFIADEVITAFGRLGTMFGSDMYNIKPDLVSMAKALSSAYVPIGAIMVSPEISDVIHSQSNKLGSFAHGFTYSGHPVACAVAIEALKIYQERNIPDHVKQISPRFQEGVKAFAGSPIVGEIRGVGLILGTEFADNKSPNDPFPAEWGVGAIFGAECQKRGMLVRVAGDNIMMSPPLIMTPDEVEELVSIYGDALKATEERVAELKSKKNN

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-7.2480e-03, 1.3842e-01]])

C ( C C = O ) C ( = O ) [O-] . C ( C ( [O-] ) = O ) [NH3+]

O = C ( C = O ) [O-] . [NH3+] C C C C ( [O-] ) = O

MVIARGLLRSNASSSSSQAINLLKYVTSTGSLQGHTQNLCDASTRHFSSVPSPQSNSTEENGFKGHGMLAPFTAGWQSTDVHPLVIERSEGSYVYDIDGKKYLDSLAGLWCTALGGSEPRLAKAATEQLHKLPFYHSFWNRTTKPSLDLAKELLSMFTAREMGKVFFTNSGSEANDSQVKLVWYYNNALGRPDKKKFIARSKSYHGSTLISASLSGLPALHQKFDLPAPFVLHTDCPHYWRFHLPGETEEEFATRLANNLEELILKEGPETIAAFIAEPVMGAGGVIPPPKTYFEKVQAIVKKYDILFIADEVITAFGRLGTMFGSDMYNIKPDLVSMAKALSSAYVPIGAIMVSPEISDVIHSQSNKLGSFAHGFTYSGHPVACAVAIEALKIYQERNIPDHVKQISPRFQEGVKAFAGSPIVGEIRGVGLILGTEFADNKSPNDPFPAEWGVGAIFGAECQKRGMLVRVAGDNIMMSPPLIMTPDEVEELVSIYGDALKATEERVAELKSKKNN

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C ( = O ) C ( = O ) [O-] . [O-] C ( = O ) C C C [NH3+]

O = C C C C ( = O ) [O-] . [O-] C ( C [NH3+] ) = O

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1.9265e-02, 1.4679e-01]])

[O-] C ( = O ) C [NH3+] . C ( C = O ) C C ( = O ) [O-]

C ( = O ) C ( = O ) [O-] . [O-] C ( = O ) C C C [NH3+]

MTTPHGLLQYSSGAFSDQVPADDSAEEHGVKDHAMLAPFTAAWQTAISPPLVIERSEGCYVYDVNGTKYLDALAGLLSTALGGSEPRLVKAATEQLNKLPFYHSFWNHTTRPSLDLAKELISMFTAREMGKVFFTNSGSEANDSQVKIVWYYNNALGRPKKKNIISRTQSYHGTTFISASLSGLPTLHQDFDLPGRFVLHTDCPHYWRFHLPGETEEEFATRLADNLENLILKQGPETIAAFIAEPVIGAGGVILPPKTYFEKIQAVVKKYDILFIVDEVITGFGRLGTMFGSDLYNIKPDLVSLAKALSSAYAPIGAILVSPEISDVIHSHSNKLGTFAHGFTYSGHPVSCAVALEALKIYRERDIPGHVTHVAQRFQEGIKAFAAGSPIVGETRGVGLLIATEFTDNKSPYELFPFEWGVGEIFGQECKKRGMMVKVLGNLIAMSPPLIITREEIDKLVSIYGEALKATEERVAELKSKKN

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1.9265e-02, 1.4679e-01]])

O = C C ( = O ) [O-] . C ( = O ) ( C C C [NH3+] ) [O-]

C ( [NH3+] ) C ( = O ) [O-] . C ( C C C = O ) ( = O ) [O-]

MVVINSLRRLARTTQVHLHSKYATCMSGNSTSRRIFTTEAAPEKKNTVGSKGHDMLAPFTAGWQSADLDPLVIAKSEGSYVYDDTGKKYLDSLAGLWCTALGGNEPRLVSAAVEQLNTLPFYHSFWNRTTKPSLDLAKVLLEMFTANKMAKAFFTSGGSDANDTQVKLVWYYNNALGRPEKKKFIARKKSYHGSTLISASLSGLPPLHQNFDLPAPFVLHTDCPHYWRFHLPGETEEEFSTRLAKNLEDLIIKEGPETIGAFIAEPVMGAGGVIPPPATYFEKVQAVVKKYDILFIADEVICAFGRLGTMFGCDKYNIKPDLVTLAKALSSAYMPIGAILMSQEVADVINSHSSKLGVFSHGFTYSGHPVSCAVAIEALKIYKERNIPEYVAKVAPRFQDGVKAFASGSPIIGETRGTGLILGTEFVDNKSPNEPFPPEWGVGAFFGAECQKHGMLVRVAGDGILMSPPLIISPEEIDELISIYGKALKATEEKVKELKAQHKK

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C ( [NH3+] ) C ( = O ) [O-] . O = C ( [O-] ) C C C = O

C ( C [NH3+] ) C C ( [O-] ) = O . C ( [O-] ) ( = O ) C = O

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-6.7958e-03, 1.3409e-01]])

C ( = O ) ( C C C [NH3+] ) [O-] . O = C C ( = O ) [O-]

[O-] C ( C [NH3+] ) = O . C ( C C C ( = O ) [O-] ) = O

MAKTNGFMGHDMLAPFTAAWMIDMGPLVIDKAEGSYVYGVNGKKYLDSLSGLWCTVLGGSEPRLIEAASKQLNKSAFYHSFWNRTTKPSLDLAKELINMFTANKMGKVFFTSSGSEANDTQVKLVWYYNNAIGRPNKKKIISRKNAYHGSTYMTAGLSGLPSLHLKFDLPPPYILHTDCPHYWNYHLPGETEEEYSTRLANNLENLILKEGPETVAAFIAEPVMGGAGVIIPPATYFEKIQAVLKKYDILFIADEVICGFGRLGTMFGCDKYNIKPDLVSIAKALSGGYIPIGAVLVSEEISKVIMSQSNQLGVFCHGFTYSGHPVACAVALEALKIYKEKNITEVVNKLSPKLQEGLKAFIDSPIIGEIRGTGLVLSTEFVDNKSPNDPFPPEWGVGTYFGSQCQKHGMLVSFSGDHVNMAPPFTLSLEELDEMISIYGKALKDTEKRVEELKSQKK

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-9.1814e-03, 1.2522e-01]])

C ( = O ) C C C ( = O ) [O-] . C ( C [NH3+] ) ( = O ) [O-]

O = C ( [O-] ) C C C [NH3+] . C ( C ( = O ) [O-] ) = O

MAKTNGFMGHDMLAPFTAAWMIDMGPLVIDKAEGSYVYGVNGKKYLDSLSGLWCTVLGGSEPRLIEAASKQLNKSAFYHSFWNRTTKPSLDLAKELINMFTANKMGKVFFTSSGSEANDTQVKLVWYYNNAIGRPNKKKIISRKNAYHGSTYMTAGLSGLPSLHLKFDLPPPYILHTDCPHYWNYHLPGETEEEYSTRLANNLENLILKEGPETVAAFIAEPVMGGAGVIIPPATYFEKIQAVLKKYDILFIADEVICGFGRLGTMFGCDKYNIKPDLVSIAKALSGGYIPIGAVLVSEEISKVIMSQSNQLGVFCHGFTYSGHPVACAVALEALKIYKEKNITEVVNKLSPKLQEGLKAFIDSPIIGEIRGTGLVLSTEFVDNKSPNDPFPPEWGVGTYFGSQCQKHGMLVSFSGDHVNMAPPFTLSLEELDEMISIYGKALKDTEKRVEELKSQKK

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O = C ( C C C [NH3+] ) [O-] . O = C C ( [O-] ) = O

C ( C ( [O-] ) = O ) C C = O . [NH3+] C C ( [O-] ) = O

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-6.7958e-03, 1.3409e-01]])

C ( [NH3+] ) C ( [O-] ) = O . [O-] C ( = O ) C C C = O

C ( = O ) ( [O-] ) C = O . C ( C C C [NH3+] ) ( = O ) [O-]

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-6.7958e-03, 1.3409e-01]])

C ( = O ) ( C = O ) [O-] . [O-] C ( = O ) C C C [NH3+]

C ( [O-] ) ( C [NH3+] ) = O . C ( C C ( [O-] ) = O ) C = O

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C ( C C = O ) C ( [O-] ) = O . C ( C [NH3+] ) ( = O ) [O-]

O = C C ( = O ) [O-] . O = C ( [O-] ) C C C [NH3+]

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-6.7958e-03, 1.3409e-01]])

O = C C ( [O-] ) = O . [NH3+] C C C C ( = O ) [O-]

C ( = O ) ( [O-] ) C C C = O . [O-] C ( C [NH3+] ) = O

MTTPHGLLQYSSGAFSDQVPADDSAEEHGVKDHAMLAPFTAAWQTAISPPLVIERSEGCYVYDVNGTKYLDALAGLLSTALGGSEPRLVKAATEQLNKLPFYHSFWNHTTRPSLDLAKELISMFTAREMGKVFFTNSGSEANDSQVKIVWYYNNALGRPKKKNIISRTQSYHGTTFISASLSGLPTLHQDFDLPGRFVLHTDCPHYWRFHLPGETEEEFATRLADNLENLILKQGPETIAAFIAEPVIGAGGVILPPKTYFEKIQAVVKKYDILFIVDEVITGFGRLGTMFGSDLYNIKPDLVSLAKALSSAYAPIGAILVSPEISDVIHSHSNKLGTFAHGFTYSGHPVSCAVALEALKIYRERDIPGHVTHVAQRFQEGIKAFAAGSPIVGETRGVGLLIATEFTDNKSPYELFPFEWGVGEIFGQECKKRGMMVKVLGNLIAMSPPLIITREEIDKLVSIYGEALKATEERVAELKSKKN

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1.9265e-02, 1.4679e-01]])

C ( C C = O ) C ( = O ) [O-] . [NH3+] C C ( [O-] ) = O

[NH3+] C C C C ( = O ) [O-] . C ( = O ) C ( = O ) [O-]

MTTPHGLLQYSSGAFSDQVPADDSAEEHGVKDHAMLAPFTAAWQTAISPPLVIERSEGCYVYDVNGTKYLDALAGLLSTALGGSEPRLVKAATEQLNKLPFYHSFWNHTTRPSLDLAKELISMFTAREMGKVFFTNSGSEANDSQVKIVWYYNNALGRPKKKNIISRTQSYHGTTFISASLSGLPTLHQDFDLPGRFVLHTDCPHYWRFHLPGETEEEFATRLADNLENLILKQGPETIAAFIAEPVIGAGGVILPPKTYFEKIQAVVKKYDILFIVDEVITGFGRLGTMFGSDLYNIKPDLVSLAKALSSAYAPIGAILVSPEISDVIHSHSNKLGTFAHGFTYSGHPVSCAVALEALKIYRERDIPGHVTHVAQRFQEGIKAFAAGSPIVGETRGVGLLIATEFTDNKSPYELFPFEWGVGEIFGQECKKRGMMVKVLGNLIAMSPPLIITREEIDKLVSIYGEALKATEERVAELKSKKN

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[O-] C ( C C C [NH3+] ) = O . O = C C ( [O-] ) = O

C ( = O ) C C C ( = O ) [O-] . O = C ( [O-] ) C [NH3+]

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1.9265e-02, 1.4679e-01]])

O = C ( [O-] ) C [NH3+] . C ( = O ) ( [O-] ) C C C = O

O = C ( [O-] ) C = O . C ( = O ) ( C C C [NH3+] ) [O-]

MTTPHGLLQYSSGAFSDQVPADDSAEEHGVKDHAMLAPFTAAWQTAISPPLVIERSEGCYVYDVNGTKYLDALAGLLSTALGGSEPRLVKAATEQLNKLPFYHSFWNHTTRPSLDLAKELISMFTAREMGKVFFTNSGSEANDSQVKIVWYYNNALGRPKKKNIISRTQSYHGTTFISASLSGLPTLHQDFDLPGRFVLHTDCPHYWRFHLPGETEEEFATRLADNLENLILKQGPETIAAFIAEPVIGAGGVILPPKTYFEKIQAVVKKYDILFIVDEVITGFGRLGTMFGSDLYNIKPDLVSLAKALSSAYAPIGAILVSPEISDVIHSHSNKLGTFAHGFTYSGHPVSCAVALEALKIYRERDIPGHVTHVAQRFQEGIKAFAAGSPIVGETRGVGLLIATEFTDNKSPYELFPFEWGVGEIFGQECKKRGMMVKVLGNLIAMSPPLIITREEIDKLVSIYGEALKATEERVAELKSKKN

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1.9265e-02, 1.4679e-01]])

O = P ( O P ( = O ) ( O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@H] ( [C@H] ( [C@@H] ( O 1 ) n 1 c ( = O ) n c ( c c 1 ) N ) O ) O ) [O-] ) ( [O-] ) [O-] . [H+] . C ( [C@@H] ( O ) [C@] ( O ) ( C ) C O ) O P ( [O-] ) ( [O-] ) = O

P ( [O-] ) ( O P ( O ) ( = O ) [O-] ) ( [O-] ) = O . C ( [C@@H] ( O ) [C@@] ( O ) ( C O ) C ) O P ( = O ) ( [O-] ) O P ( [O-] ) ( O C [C@H] 1 O [C@@H] ( n 2 c ( n c ( N ) c c 2 ) = O ) [C@@H] ( [C@@H] 1 O ) O ) = O

MIVGVILFGGKGTRFSKDFPKQFLKFNGKALMEHTVEKFLLDCFEFLVVVSNKDYINKSIEILKKFEKKIYVIEGGKTREHSTFNAIKFLENKIDLEDIVLIHDGARPFVNKDIIEKNIENAKLFGATVTAISSENTIAVVENDFILSVPKRDSIFIIQTPQTFKYKVLKDSFFKFSNRLDNFTDDSSVVLASGYKVSITEGNKKNIKITTVEDLHLMGVDEIVGG

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-1.0063e-01, 8.8489e-02]])

C ( [C@] ( O ) ( [C@@H] ( C O P ( O P ( = O ) ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) n 1 c c c ( n c 1 = O ) N ) [O-] ) ( [O-] ) = O ) O ) C ) O . O P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-]

[C@@H] 1 ( O ) [C@@H] ( C O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) O P ( [O-] ) ( = O ) [O-] ) O [C@H] ( [C@@H] 1 O ) n 1 c c c ( n c 1 = O ) N . [H+] . O = P ( [O-] ) ( O C [C@H] ( [C@] ( C ) ( C O ) O ) O ) [O-]

MIVGVILFGGKGTRFSKDFPKQFLKFNGKALMEHTVEKFLLDCFEFLVVVSNKDYINKSIEILKKFEKKIYVIEGGKTREHSTFNAIKFLENKIDLEDIVLIHDGARPFVNKDIIEKNIENAKLFGATVTAISSENTIAVVENDFILSVPKRDSIFIIQTPQTFKYKVLKDSFFKFSNRLDNFTDDSSVVLASGYKVSITEGNKKNIKITTVEDLHLMGVDEIVGG

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-1.0063e-01, 8.8489e-02]])

O ( P ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c ( n c ( N ) c c 1 ) = O ) O ) ( [O-] ) = O ) P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) = O . [H+] . O C [C@@] ( C ) ( [C@H] ( O ) C O P ( = O ) ( [O-] ) [O-] ) O

O ( C [C@H] ( [C@@] ( C O ) ( C ) O ) O ) P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) O C [C@H] 1 O [C@@H] ( n 2 c c c ( n c 2 = O ) N ) [C@@H] ( [C@@H] 1 O ) O . P ( O P ( [O-] ) ( O ) = O ) ( [O-] ) ( = O ) [O-]

MHLLIPAAGMGRRMGSDRNKLRLMLHGKPLLAWTLLAAESSISISWIGIIGQLEDEPTWETLLNTLSLNKPVVFIEGGQTRQESVYNGLQALPPEAEQVLIHDGARCLATPELLDRCAHALHKYQGFVAAVPVKDTIKVVDTTHQIQGTPDRSQLWAAQTPQGFQVVPLKKCHEQGRQQGWEVTDDAALFEKLDLPVHIVVGEETNLKVTTPADLAIAELILEQRLQKNSQTDGFGS

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3.3211e-02, -1.0524e-01]])

O = P ( [O-] ) ( [O-] ) O P ( [O-] ) ( O ) = O . [C@@H] 1 ( [C@@H] ( O ) [C@H] ( n 2 c c c ( n c 2 = O ) N ) O [C@@H] 1 C O P ( = O ) ( O P ( [O-] ) ( = O ) O C [C@@H] ( O ) [C@] ( O ) ( C ) C O ) [O-] ) O

[H+] . O = c 1 n ( [C@@H] 2 O [C@H] ( C O P ( = O ) ( O P ( O P ( = O ) ( [O-] ) [O-] ) ( = O ) [O-] ) [O-] ) [C@H] ( [C@H] 2 O ) O ) c c c ( N ) n 1 . C ( [C@@] ( O ) ( C ) [C@@H] ( C O P ( = O ) ( [O-] ) [O-] ) O ) O

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[H+] . [O-] P ( O P ( [O-] ) ( [O-] ) = O ) ( = O ) O P ( O C [C@H] 1 O [C@@H] ( n 2 c c c ( N ) n c 2 = O ) [C@@H] ( [C@@H] 1 O ) O ) ( = O ) [O-] . [C@H] ( O ) ( [C@] ( O ) ( C ) C O ) C O P ( [O-] ) ( = O ) [O-]

P ( O P ( [O-] ) ( [O-] ) = O ) ( [O-] ) ( = O ) O . O = P ( O P ( O C [C@@H] ( O ) [C@@] ( C O ) ( C ) O ) ( = O ) [O-] ) ( [O-] ) O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c c c ( n c 2 = O ) N ) O 1 ) O ) O

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-3.0991e-02, -3.1254e-02, -5.4441e-02]])

c 1 n ( c ( n c ( N ) c 1 ) = O ) [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@@H] ( C O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) O C [C@@H] ( O ) [C@@] ( C O ) ( C ) O ) O 1 . [O-] P ( O P ( [O-] ) ( = O ) [O-] ) ( O ) = O

[H+] . C ( [C@@] ( O ) ( C ) [C@H] ( O ) C O P ( [O-] ) ( [O-] ) = O ) O . O = P ( O P ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c ( n c ( N ) c c 1 ) = O ) O ) ( = O ) [O-] ) ( O P ( [O-] ) ( = O ) [O-] ) [O-]

MNDSQDKIVAIVPAAGIGSRMGAEIPKQYLLIDEKTILQLTLELLLTHPKIDCVVVALHPEDQFFKGLPLSSHHKLHTVVGGSERADSVLACLNHLGGDCWAMVHDAARPCLTHGDIDKLIASRQRFPQGAILAAPVRDTMKRGNADGTVKETVCRERLWHALTPQLFPAALLKGNLEQALAQGANITDEASAMEWAGVSPGLVDGRVDNIKITHPDDLLLAGLFLGNAHSLER

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-3.0991e-02, -3.1254e-02, -5.4441e-02]])

[H+] . [C@H] ( O ) ( [C@@] ( C O ) ( C ) O ) C O P ( [O-] ) ( = O ) [O-] . C ( O P ( [O-] ) ( = O ) O P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) = O ) [C@H] 1 O [C@@H] ( n 2 c c c ( n c 2 = O ) N ) [C@@H] ( [C@@H] 1 O ) O

O C [C@@] ( C ) ( [C@@H] ( C O P ( [O-] ) ( O P ( = O ) ( O C [C@H] 1 O [C@@H] ( n 2 c c c ( n c 2 = O ) N ) [C@H] ( O ) [C@@H] 1 O ) [O-] ) = O ) O ) O . P ( O P ( [O-] ) ( O ) = O ) ( [O-] ) ( [O-] ) = O

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O = P ( O ) ( [O-] ) O P ( = O ) ( [O-] ) [O-] . [C@H] ( C O P ( [O-] ) ( O P ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@H] ( n 2 c ( n c ( c c 2 ) N ) = O ) O 1 ) ( [O-] ) = O ) = O ) ( O ) [C@] ( O ) ( C ) C O

P ( = O ) ( [O-] ) ( [O-] ) O C [C@@H] ( O ) [C@@] ( O ) ( C O ) C . [C@@H] 1 ( O ) [C@H] ( O [C@@H] ( n 2 c ( n c ( c c 2 ) N ) = O ) [C@@H] 1 O ) C O P ( [O-] ) ( O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) [O-] ) = O . [H+]

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-2.6534e-02, -1.4446e-02, -5.0628e-02]])

C ( [C@] ( C ) ( O ) [C@@H] ( C O P ( [O-] ) ( = O ) [O-] ) O ) O . O = P ( [O-] ) ( O P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) [O-] ) O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c c c ( N ) n c 1 = O . [H+]

O = P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) O . O ( C [C@H] ( [C@@] ( C ) ( O ) C O ) O ) P ( [O-] ) ( O P ( O C [C@H] 1 O [C@@H] ( n 2 c ( n c ( c c 2 ) N ) = O ) [C@H] ( O ) [C@@H] 1 O ) ( = O ) [O-] ) = O

MNVAILLAAGKGERMSENVPKQFLEIEGRMLFEYPLSTFLKSEAIDGVVIVTRREWFEVVEKRVFHEKVLGIVEGGDTRSQSVRSALEFLEKFSPSYVLVHDSARPFLRKKHVSEVLRRARETGAATLALKNSDALVRVENDRMEYIPRKGVYRILTPQAFSYEILKKAHENGGEWADDTEPVQKLGVKIALVEGDPLCFKVTFKEDLELARIIAREWERIP

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1.3455e-01]])

[C@@H] 1 ( [C@@H] ( O ) [C@@H] ( O [C@@H] 1 C O P ( = O ) ( O P ( = O ) ( [O-] ) O C [C@H] ( [C@@] ( C O ) ( C ) O ) O ) [O-] ) n 1 c c c ( n c 1 = O ) N ) O . [O-] P ( O P ( [O-] ) ( = O ) O ) ( = O ) [O-]

O C [C@@] ( O ) ( C ) [C@H] ( O ) C O P ( [O-] ) ( = O ) [O-] . [O-] P ( O P ( [O-] ) ( = O ) [O-] ) ( = O ) O P ( = O ) ( O C [C@H] 1 O [C@@H] ( n 2 c c c ( n c 2 = O ) N ) [C@H] ( O ) [C@@H] 1 O ) [O-] . [H+]

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O = P ( [O-] ) ( O C [C@H] ( [C@@] ( O ) ( C O ) C ) O ) [O-] . O ( C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c ( n c ( N ) c c 1 ) = O ) P ( O P ( O P ( [O-] ) ( = O ) [O-] ) ( [O-] ) = O ) ( [O-] ) = O . [H+]

O [C@@H] ( [C@@] ( O ) ( C O ) C ) C O P ( O P ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c ( = O ) n c ( N ) c c 1 ) O ) ( [O-] ) = O ) ( = O ) [O-] . O P ( = O ) ( [O-] ) O P ( [O-] ) ( [O-] ) = O

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1.3502e-01, 4.2762e-03, -7.3584e-02, 5.1484e-02, -6.4416e-02, 1.4726e-02]])

C ( O P ( [O-] ) ( = O ) O P ( = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c c c ( N ) n c 2 = O ) O 1 ) O ) [O-] ) [C@@H] ( O ) [C@@] ( O ) ( C O ) C . O = P ( O ) ( O P ( [O-] ) ( [O-] ) = O ) [O-]

C ( [C@@H] ( O ) [C@@] ( C O ) ( C ) O ) O P ( [O-] ) ( [O-] ) = O . [H+] . c 1 ( = O ) n c ( N ) c c n 1 [C@@H] 1 O [C@H] ( C O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) [O-] ) [C@H] ( [C@H] 1 O ) O

MEYAAIVLAAGQGKRMKAGMNKQLIDLNGIPLIVHSLRLFEEDAACKAIWLVVSETERQTMEKLVAEYQIGKVKGLVNGGAERQDSVYAGLKGMEEAEIVLIHDGARPFVAKPILTKLADEAAQSGAAIAAVPVKDTVKLADKNSVARTVERKNLWAAQTPQAFQYELVLAAHEDAKKHGFLGTDDASLVERLDKRVTIVESDYLNIKLTTEEDLLFAETILKKRENQL

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1.3502e-01, 4.2762e-03, -7.3584e-02, 5.1484e-02, -6.4416e-02, 1.4726e-02]])

O C [C@] ( O ) ( [C@@H] ( C O P ( [O-] ) ( = O ) [O-] ) O ) C . [H+] . O ( P ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c ( = O ) n c ( c c 1 ) N ) O ) ( [O-] ) = O ) P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-]

O C [C@@] ( O ) ( C ) [C@@H] ( C O P ( O P ( = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c c c ( n c 1 = O ) N ) [O-] ) ( [O-] ) = O ) O . P ( O P ( = O ) ( [O-] ) [O-] ) ( O ) ( [O-] ) = O

MKQSVIIVAGGKGLRMGSDLPKQFLPVGGKPVLMHTLEAFRKYDAMLQIILVLPREQQDFWKQLCEEHHFSVEHLVADGGETRFHSVKNGLALVQAPGLVGVHDGVRPFVTLEVIRRCYELAEQHKAVIPVVDVVETLRHLTDAGSETVSRTEYKLVQTPQVFEVELLKQAYGQEFTPFFTDDASVVEAMGVPVHLAEGNRENIKITTPFDLKIGSALL

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5.7608e-02, -2.6060e-02, -3.3014e-02]])

[C@H] 1 ( O [C@@H] ( [C@@H] ( O ) [C@H] 1 O ) C O P ( O P ( [O-] ) ( O C [C@H] ( [C@@] ( O ) ( C O ) C ) O ) = O ) ( [O-] ) = O ) n 1 c ( = O ) n c ( c c 1 ) N . O = P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) O

O [C@H] ( C O P ( = O ) ( [O-] ) [O-] ) [C@@] ( C ) ( O ) C O . O ( P ( [O-] ) ( [O-] ) = O ) P ( = O ) ( O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c c c ( n c 1 = O ) N ) O ) [O-] . [H+]

MKQSVIIVAGGKGLRMGSDLPKQFLPVGGKPVLMHTLEAFRKYDAMLQIILVLPREQQDFWKQLCEEHHFSVEHLVADGGETRFHSVKNGLALVQAPGLVGVHDGVRPFVTLEVIRRCYELAEQHKAVIPVVDVVETLRHLTDAGSETVSRTEYKLVQTPQVFEVELLKQAYGQEFTPFFTDDASVVEAMGVPVHLAEGNRENIKITTPFDLKIGSALL

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5.7608e-02, -2.6060e-02, -3.3014e-02]])

C ( O ) [C@] ( [C@H] ( O ) C O P ( [O-] ) ( [O-] ) = O ) ( C ) O . O [C@H] 1 [C@@H] ( O [C@H] ( C O P ( [O-] ) ( O P ( = O ) ( [O-] ) O P ( [O-] ) ( [O-] ) = O ) = O ) [C@H] 1 O ) n 1 c c c ( N ) n c 1 = O . [H+]

O = c 1 n c ( c c n 1 [C@H] 1 [C@@H] ( [C@@H] ( [C@H] ( O 1 ) C O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) O C [C@H] ( [C@] ( C O ) ( O ) C ) O ) O ) O ) N . [O-] P ( O P ( O ) ( = O ) [O-] ) ( [O-] ) = O

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-4.5969e-02, -3.2251e-02]])

O = P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) O . O ( C [C@H] ( [C@] ( C ) ( C O ) O ) O ) P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) O C [C@H] 1 O [C@@H] ( n 2 c c c ( N ) n c 2 = O ) [C@@H] ( [C@@H] 1 O ) O

O 1 [C@H] ( C O P ( = O ) ( O P ( [O-] ) ( O P ( = O ) ( [O-] ) [O-] ) = O ) [O-] ) [C@H] ( [C@H] ( [C@@H] 1 n 1 c c c ( n c 1 = O ) N ) O ) O . [H+] . O [C@] ( [C@@H] ( C O P ( [O-] ) ( [O-] ) = O ) O ) ( C O ) C

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O ( P ( [O-] ) ( O C [C@H] 1 O [C@@H] ( n 2 c c c ( N ) n c 2 = O ) [C@@H] ( [C@@H] 1 O ) O ) = O ) P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) = O . [H+] . O = P ( [O-] ) ( O C [C@@H] ( O ) [C@] ( O ) ( C ) C O ) [O-]

P ( [O-] ) ( = O ) ( O ) O P ( [O-] ) ( [O-] ) = O . O 1 [C@@H] ( [C@H] ( [C@H] ( [C@@H] 1 n 1 c c c ( N ) n c 1 = O ) O ) O ) C O P ( O P ( [O-] ) ( = O ) O C [C@H] ( [C@] ( O ) ( C ) C O ) O ) ( = O ) [O-]

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-9.4297e-02, -1.1504e-02, -5.8589e-02, 7.1886e-02]])

[C@@H] 1 ( O ) [C@@H] ( [C@@H] ( C O P ( = O ) ( [O-] ) O P ( = O ) ( O C [C@@H] ( O ) [C@@] ( C ) ( O ) C O ) [O-] ) O [C@H] 1 n 1 c c c ( n c 1 = O ) N ) O . O = P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) O

[H+] . [C@] ( O ) ( C O ) ( C ) [C@H] ( O ) C O P ( [O-] ) ( = O ) [O-] . c 1 ( N ) c c n ( c ( = O ) n 1 ) [C@@H] 1 O [C@@H] ( [C@@H] ( O ) [C@H] 1 O ) C O P ( = O ) ( O P ( = O ) ( [O-] ) O P ( [O-] ) ( [O-] ) = O ) [O-]

MQESTMKFGIVIVAAGRGERAGSPEEGPKQYRPIGGRAVIEHTLATFLRWNDACPIVVVSHADDAALLSPILARLDAGERITTVTGGATRQQSVLAGLEALSSHGLTHVMIHDAVRPFVAADMLERIAALHRAGAGGVLPALPVTDTLKRGLEDRVVETVSRQGLYAAQTPQSFSYSDILDAHRAAAASGKTDFTDDASIAEWTGLTVTLTEGSVDNVKLTLKRDIAMADEKLSHALPDVRTGNGYDVHQLEAGDGVTLCGIFIEHDQRLKGHSDADVALHALTDALLATCGAGDIGDHFPPSDPQWKGAASRIFLEHAAKVVRDNGGTIMNADVSLIAEAPRIGPHRQAMREALSDMLGIALERCSVKATTNETIGFVGRREGIAAIATATVVYQGRPL

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-9.4297e-02, -1.1504e-02, -5.8589e-02, 7.1886e-02]])

[H+] . O ( P ( = O ) ( [O-] ) [O-] ) C [C@H] ( [C@] ( O ) ( C ) C O ) O . [O-] P ( = O ) ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c ( = O ) n c ( N ) c c 1 ) O P ( O P ( = O ) ( [O-] ) [O-] ) ( = O ) [O-]

O ( P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) O C [C@@H] ( O ) [C@@] ( O ) ( C O ) C ) C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c ( = O ) n c ( c c 1 ) N ) O . [O-] P ( O P ( O ) ( = O ) [O-] ) ( [O-] ) = O

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O ( P ( O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c ( n c ( N ) c c 1 ) = O ) O ) ( [O-] ) = O ) C [C@@H] ( O ) [C@] ( C ) ( C O ) O . [O-] P ( = O ) ( O P ( [O-] ) ( O ) = O ) [O-]

O C [C@] ( O ) ( [C@H] ( O ) C O P ( [O-] ) ( [O-] ) = O ) C . P ( = O ) ( [O-] ) ( [O-] ) O P ( [O-] ) ( O P ( = O ) ( O C [C@H] 1 O [C@@H] ( n 2 c c c ( N ) n c 2 = O ) [C@@H] ( [C@@H] 1 O ) O ) [O-] ) = O . [H+]

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1.1387e-01, -2.5225e-02, 3.2903e-02]])

[C@@H] 1 ( n 2 c 3 n c n c ( c 3 n c 2 ) N ) O [C@H] ( C O P ( O P ( = O ) ( O C C ( [C@@H] ( O ) C ( = O ) N C C C ( = O ) N C C S C ( c 2 c c c c c 2 ) = O ) ( C ) C ) [O-] ) ( = O ) [O-] ) [C@@H] ( O P ( = O ) ( [O-] ) [O-] ) [C@H] 1 O . O = C ( [O-] ) C [NH3+]

c 1 c ( c c c c 1 ) C ( N C C ( [O-] ) = O ) = O . N ( C C C ( N C C S ) = O ) C ( [C@H] ( O ) C ( C ) ( C ) C O P ( [O-] ) ( O P ( [O-] ) ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O P ( = O ) ( [O-] ) [O-] ) O ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) = O ) = O ) = O . [H+]

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5.6119e-02, -1.2147e-01, 2.9647e-02, -1.4985e-02]])

[H+] . c 1 c ( C ( N C C ( [O-] ) = O ) = O ) c c c c 1 . S C C N C ( = O ) C C N C ( = O ) [C@@H] ( C ( C ) ( C ) C O P ( [O-] ) ( = O ) O P ( = O ) ( O C [C@H] 1 O [C@@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) [C@H] ( O ) [C@@H] 1 O P ( = O ) ( [O-] ) [O-] ) [O-] ) O

O = C ( [O-] ) C [NH3+] . [O-] P ( O [C@H] 1 [C@@H] ( O ) [C@@H] ( O [C@@H] 1 C O P ( O P ( O C C ( [C@H] ( C ( = O ) N C C C ( = O ) N C C S C ( = O ) c 1 c c c c c 1 ) O ) ( C ) C ) ( [O-] ) = O ) ( = O ) [O-] ) n 1 c 2 c ( n c 1 ) c ( N ) n c n 2 ) ( = O ) [O-]

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C ( C ( [O-] ) = O ) [NH3+] . c 1 c ( C ( = O ) S C C N C ( C C N C ( [C@@H] ( C ( C ) ( C O P ( = O ) ( O P ( O C [C@H] 2 O [C@@H] ( n 3 c n c 4 c 3 n c n c 4 N ) [C@H] ( O ) [C@@H] 2 O P ( [O-] ) ( [O-] ) = O ) ( [O-] ) = O ) [O-] ) C ) O ) = O ) = O ) c c c c 1

[H+] . c 1 ( c c c c c 1 ) C ( N C C ( [O-] ) = O ) = O . O 1 [C@@H] ( [C@H] ( [C@H] ( [C@@H] 1 n 1 c 2 c ( c ( N ) n c n 2 ) n c 1 ) O ) O P ( [O-] ) ( [O-] ) = O ) C O P ( [O-] ) ( = O ) O P ( = O ) ( O C C ( C ) ( [C@@H] ( O ) C ( N C C C ( = O ) N C C S ) = O ) C ) [O-]

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-1.3441e-01, 7.6281e-04, 1.3641e-02]])

[O-] C ( = O ) C N C ( c 1 c c c c c 1 ) = O . [C@H] 1 ( n 2 c n c 3 c ( n c n c 2 3 ) N ) [C@@H] ( [C@@H] ( [C@@H] ( C O P ( O P ( [O-] ) ( = O ) O C C ( [C@@H] ( O ) C ( N C C C ( = O ) N C C S ) = O ) ( C ) C ) ( [O-] ) = O ) O 1 ) O P ( [O-] ) ( = O ) [O-] ) O . [H+]

C C ( [C@H] ( C ( = O ) N C C C ( = O ) N C C S C ( c 1 c c c c c 1 ) = O ) O ) ( C O P ( O P ( O C [C@H] 1 O [C@@H] ( n 2 c n c 3 c 2 n c n c 3 N ) [C@@H] ( [C@@H] 1 O P ( [O-] ) ( [O-] ) = O ) O ) ( [O-] ) = O ) ( = O ) [O-] ) C . [O-] C ( = O ) C [NH3+]

MIVPLQGAQMLQMLEKSLKKYLPESLKVYGTIYHVNHGNPFNLKALVDKWPDFNTVVVRPQEQEMKDDLDFYTNTYQIYSKDPENCQEFLGSSEVINWKQHLQIQSSQSHLNKAIQNLASIHSLQVKHSENILYVVSETVRKLFPSLLDTKNLSPGSGKPKAINQEMFKLSSLDVTHAALVNKFWLFGGNERSQRFIERCIKNFPSSCVLGPEGTPASWTLMDQTGEMRMGGTVPQYRAQGLVSFVIYSQDQIMKKRGFPVYSHTDKSNTVMQKMSYSLQHLPMPCAWNQWICVPM

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-1.3441e-01, 7.6281e-04, 1.3641e-02]])

[C@@H] 1 ( O ) [C@H] ( O P ( = O ) ( [O-] ) [O-] ) [C@@H] ( C O P ( O P ( = O ) ( O C C ( C ) ( C ) [C@H] ( C ( N C C C ( N C C S C ( = O ) c 2 c c c c c 2 ) = O ) = O ) O ) [O-] ) ( = O ) [O-] ) O [C@H] 1 n 1 c 2 n c n c ( N ) c 2 n c 1 . [NH3+] C C ( = O ) [O-]

c 1 c c c ( c c 1 ) C ( = O ) N C C ( = O ) [O-] . [C@@H] ( C ( C ) ( C ) C O P ( [O-] ) ( O P ( [O-] ) ( O C [C@@H] 1 [C@@H] ( O P ( [O-] ) ( = O ) [O-] ) [C@@H] ( O ) [C@H] ( n 2 c 3 n c n c ( c 3 n c 2 ) N ) O 1 ) = O ) = O ) ( C ( N C C C ( N C C S ) = O ) = O ) O . [H+]

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[C@@H] 1 ( O ) [C@H] ( O P ( = O ) ( [O-] ) [O-] ) [C@H] ( O [C@H] 1 n 1 c 2 c ( n c 1 ) c ( n c n 2 ) N ) C O P ( O P ( = O ) ( [O-] ) O C C ( C ) ( C ) [C@H] ( C ( N C C C ( N C C S ) = O ) = O ) O ) ( [O-] ) = O . [H+] . O = C ( C N C ( = O ) c 1 c c c c c 1 ) [O-]

c 1 ( c 2 n c n ( c 2 n c n 1 ) [C@H] 1 [C@@H] ( [C@@H] ( [C@@H] ( C O P ( [O-] ) ( O P ( [O-] ) ( = O ) O C C ( C ) ( C ) [C@@H] ( O ) C ( N C C C ( = O ) N C C S C ( = O ) c 2 c c c c c 2 ) = O ) = O ) O 1 ) O P ( = O ) ( [O-] ) [O-] ) O ) N . C ( [NH3+] ) C ( = O ) [O-]

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-9.8572e-02, 3.9404e-02, -1.0354e-02]])

O ( P ( [O-] ) ( [O-] ) = O ) [C@H] 1 [C@H] ( [C@@H] ( O [C@@H] 1 C O P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) O C C ( [C@@H] ( O ) C ( = O ) N C C C ( = O ) N C C S C ( c 1 c c c c c 1 ) = O ) ( C ) C ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) O . [O-] C ( = O ) C [NH3+]

C ( N C ( [C@@H] ( C ( C ) ( C ) C O P ( [O-] ) ( = O ) O P ( [O-] ) ( = O ) O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O P ( [O-] ) ( [O-] ) = O ) n 1 c 2 n c n c ( N ) c 2 n c 1 ) O ) = O ) C C ( = O ) N C C S . [H+] . c 1 c c c c c 1 C ( = O ) N C C ( = O ) [O-]

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-1.3441e-01, 7.6281e-04, 1.3641e-02]])

O = C ( c 1 c c c c c 1 ) N C C ( = O ) [O-] . c 1 2 n c n ( [C@@H] 3 O [C@H] ( C O P ( = O ) ( [O-] ) O P ( O C C ( C ) ( [C@@H] ( O ) C ( = O ) N C C C ( = O ) N C C S ) C ) ( = O ) [O-] ) [C@H] ( [C@H] 3 O ) O P ( [O-] ) ( = O ) [O-] ) c 2 n c n c 1 N . [H+]

C ( [O-] ) ( = O ) C [NH3+] . [O-] P ( = O ) ( O C C ( C ) ( C ) [C@@H] ( O ) C ( N C C C ( N C C S C ( = O ) c 1 c c c c c 1 ) = O ) = O ) O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@@H] ( O P ( [O-] ) ( = O ) [O-] ) [C@H] ( [C@H] ( n 2 c 3 c ( c ( N ) n c n 3 ) n c 2 ) O 1 ) O

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[NH3+] C C ( [O-] ) = O . c 1 ( N ) c 2 c ( n c n 1 ) n ( c n 2 ) [C@@H] 1 O [C@@H] ( [C@H] ( [C@H] 1 O ) O P ( [O-] ) ( = O ) [O-] ) C O P ( O P ( O C C ( C ) ( [C@@H] ( O ) C ( = O ) N C C C ( = O ) N C C S C ( c 1 c c c c c 1 ) = O ) C ) ( = O ) [O-] ) ( = O ) [O-]

C ( = O ) ( [O-] ) C N C ( c 1 c c c c c 1 ) = O . O [C@H] ( C ( C ) ( C O P ( [O-] ) ( O P ( [O-] ) ( = O ) O C [C@@H] 1 [C@@H] ( O P ( = O ) ( [O-] ) [O-] ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c 2 c ( c ( N ) n c n 2 ) n c 1 ) = O ) C ) C ( = O ) N C C C ( N C C S ) = O . [H+]

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5.6119e-02, -1.2147e-01, 2.9647e-02, -1.4985e-02]])

[H+] . O ( P ( = O ) ( [O-] ) O C C ( C ) ( C ) [C@H] ( C ( N C C C ( = O ) N C C S ) = O ) O ) P ( = O ) ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O P ( = O ) ( [O-] ) [O-] ) O ) n 1 c n c 2 c ( n c n c 1 2 ) N ) [O-] . N ( C C ( = O ) [O-] ) C ( = O ) c 1 c c c c c 1

[O-] C ( = O ) C [NH3+] . C ( C N C ( = O ) C C N C ( [C@H] ( O ) C ( C O P ( O P ( = O ) ( [O-] ) O C [C@H] 1 O [C@@H] ( n 2 c n c 3 c ( N ) n c n c 2 3 ) [C@@H] ( [C@@H] 1 O P ( [O-] ) ( [O-] ) = O ) O ) ( [O-] ) = O ) ( C ) C ) = O ) S C ( c 1 c c c c c 1 ) = O

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5.6119e-02, -1.2147e-01, 2.9647e-02, -1.4985e-02]])

[NH3+] C C ( = O ) [O-] . O = P ( [O-] ) ( O P ( = O ) ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O P ( = O ) ( [O-] ) [O-] ) O ) n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 ) [O-] ) O C C ( C ) ( [C@H] ( C ( = O ) N C C C ( N C C S C ( = O ) c 1 c c c c c 1 ) = O ) O ) C

[H+] . [C@@H] 1 ( [C@@H] ( O ) [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O [C@@H] 1 C O P ( O P ( O C C ( C ) ( [C@@H] ( O ) C ( N C C C ( = O ) N C C S ) = O ) C ) ( = O ) [O-] ) ( [O-] ) = O ) O P ( [O-] ) ( = O ) [O-] . [O-] C ( C N C ( c 1 c c c c c 1 ) = O ) = O

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O ( C C ( C ) ( C ) [C@@H] ( O ) C ( = O ) N C C C ( N C C S ) = O ) P ( O P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O P ( [O-] ) ( = O ) [O-] ) n 1 c 2 c ( n c 1 ) c ( N ) n c n 2 ) ( [O-] ) = O ) ( [O-] ) = O . [H+] . N ( C ( c 1 c c c c c 1 ) = O ) C C ( = O ) [O-]

C ( C [NH3+] ) ( = O ) [O-] . C ( O P ( = O ) ( O P ( = O ) ( [O-] ) O C C ( C ) ( [C@H] ( C ( = O ) N C C C ( N C C S C ( c 1 c c c c c 1 ) = O ) = O ) O ) C ) [O-] ) [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) O 1 ) O P ( = O ) ( [O-] ) [O-]

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-1.3441e-01, 7.6281e-04, 1.3641e-02]])

[NH3+] C C ( = O ) [O-] . O = C ( S C C N C ( C C N C ( [C@H] ( O ) C ( C O P ( = O ) ( [O-] ) O P ( = O ) ( O C [C@@H] 1 [C@@H] ( O P ( = O ) ( [O-] ) [O-] ) [C@@H] ( O ) [C@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) O 1 ) [O-] ) ( C ) C ) = O ) = O ) c 1 c c c c c 1

O = C ( N C C S ) C C N C ( = O ) [C@H] ( O ) C ( C ) ( C ) C O P ( = O ) ( [O-] ) O P ( [O-] ) ( O C [C@H] 1 O [C@@H] ( n 2 c n c 3 c 2 n c n c 3 N ) [C@H] ( O ) [C@@H] 1 O P ( [O-] ) ( [O-] ) = O ) = O . [H+] . O = C ( N C C ( [O-] ) = O ) c 1 c c c c c 1

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5.6119e-02, -1.2147e-01, 2.9647e-02, -1.4985e-02]])

O = C ( C N C ( c 1 c c c c c 1 ) = O ) [O-] . [H+] . C ( N C C S ) ( = O ) C C N C ( = O ) [C@H] ( O ) C ( C O P ( [O-] ) ( O P ( O C [C@@H] 1 [C@@H] ( O P ( = O ) ( [O-] ) [O-] ) [C@@H] ( O ) [C@H] ( n 2 c 3 n c n c ( c 3 n c 2 ) N ) O 1 ) ( [O-] ) = O ) = O ) ( C ) C

O [C@@H] 1 [C@@H] ( [C@H] ( O [C@H] 1 n 1 c n c 2 c ( N ) n c n c 2 1 ) C O P ( O P ( O C C ( C ) ( C ) [C@H] ( C ( = O ) N C C C ( N C C S C ( = O ) c 1 c c c c c 1 ) = O ) O ) ( [O-] ) = O ) ( = O ) [O-] ) O P ( [O-] ) ( [O-] ) = O . [NH3+] C C ( = O ) [O-]

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C ( [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O P ( = O ) ( [O-] ) [O-] ) n 1 c 2 c ( n c 1 ) c ( N ) n c n 2 ) O P ( [O-] ) ( O P ( [O-] ) ( O C C ( C ) ( C ) [C@H] ( C ( = O ) N C C C ( = O ) N C C S C ( c 1 c c c c c 1 ) = O ) O ) = O ) = O . C ( [NH3+] ) C ( = O ) [O-]

[O-] C ( C N C ( = O ) c 1 c c c c c 1 ) = O . [H+] . [C@@H] 1 ( O ) [C@@H] ( [C@@H] ( C O P ( O P ( [O-] ) ( = O ) O C C ( [C@@H] ( O ) C ( = O ) N C C C ( N C C S ) = O ) ( C ) C ) ( [O-] ) = O ) O [C@H] 1 n 1 c 2 n c n c ( c 2 n c 1 ) N ) O P ( = O ) ( [O-] ) [O-]

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-1.3441e-01, 7.6281e-04, 1.3641e-02]])

[H+] . N ( C C C ( N C C S ) = O ) C ( = O ) [C@H] ( O ) C ( C O P ( [O-] ) ( O P ( = O ) ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@H] ( n 2 c n c 3 c ( n c n c 3 2 ) N ) O 1 ) O P ( = O ) ( [O-] ) [O-] ) [O-] ) = O ) ( C ) C . c 1 ( C ( N C C ( = O ) [O-] ) = O ) c c c c c 1

O = C ( [O-] ) C [NH3+] . [C@@H] 1 ( O P ( [O-] ) ( [O-] ) = O ) [C@@H] ( C O P ( [O-] ) ( = O ) O P ( = O ) ( O C C ( C ) ( [C@H] ( C ( N C C C ( = O ) N C C S C ( = O ) c 2 c c c c c 2 ) = O ) O ) C ) [O-] ) O [C@H] ( [C@@H] 1 O ) n 1 c 2 n c n c ( N ) c 2 n c 1

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-1.3441e-01, 7.6281e-04, 1.3641e-02]])

[NH3+] C C ( [O-] ) = O . O ( C [C@H] 1 O [C@@H] ( n 2 c 3 n c n c ( c 3 n c 2 ) N ) [C@H] ( O ) [C@@H] 1 O P ( [O-] ) ( [O-] ) = O ) P ( [O-] ) ( = O ) O P ( [O-] ) ( = O ) O C C ( C ) ( C ) [C@H] ( C ( = O ) N C C C ( N C C S C ( = O ) c 1 c c c c c 1 ) = O ) O

[H+] . [C@@H] 1 ( [C@H] ( O ) [C@@H] ( [C@H] ( O 1 ) C O P ( = O ) ( [O-] ) O P ( [O-] ) ( O C C ( [C@H] ( C ( = O ) N C C C ( N C C S ) = O ) O ) ( C ) C ) = O ) O P ( = O ) ( [O-] ) [O-] ) n 1 c n c 2 c ( n c n c 2 1 ) N . C ( C N C ( = O ) c 1 c c c c c 1 ) ( = O ) [O-]

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O = C ( [O-] ) C N C ( c 1 c c c c c 1 ) = O . [C@@H] 1 ( C O P ( [O-] ) ( = O ) O P ( [O-] ) ( = O ) O C C ( C ) ( [C@@H] ( O ) C ( N C C C ( = O ) N C C S ) = O ) C ) [C@H] ( [C@H] ( [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O 1 ) O ) O P ( = O ) ( [O-] ) [O-] . [H+]

n 1 ( [C@@H] 2 O [C@H] ( C O P ( = O ) ( O P ( = O ) ( [O-] ) O C C ( C ) ( C ) [C@@H] ( O ) C ( N C C C ( N C C S C ( = O ) c 3 c c c c c 3 ) = O ) = O ) [O-] ) [C@@H] ( O P ( = O ) ( [O-] ) [O-] ) [C@H] 2 O ) c 2 c ( c ( n c n 2 ) N ) n c 1 . C ( [NH3+] ) C ( = O ) [O-]

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-9.8572e-02, 3.9404e-02, -1.0354e-02]])

c 1 n c 2 n ( c n c 2 c ( N ) n 1 ) [C@H] 1 [C@H] ( O ) [C@H] ( O P ( = O ) ( [O-] ) [O-] ) [C@H] ( O 1 ) C O P ( = O ) ( O P ( [O-] ) ( O C C ( C ) ( [C@H] ( C ( = O ) N C C C ( N C C S C ( c 1 c c c c c 1 ) = O ) = O ) O ) C ) = O ) [O-] . [O-] C ( = O ) C [NH3+]

O = C ( c 1 c c c c c 1 ) N C C ( = O ) [O-] . O ( P ( [O-] ) ( O P ( O C C ( C ) ( C ) [C@H] ( C ( N C C C ( N C C S ) = O ) = O ) O ) ( [O-] ) = O ) = O ) C [C@@H] 1 [C@@H] ( O P ( = O ) ( [O-] ) [O-] ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c 1 n c n c 2 N . [H+]

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5.6119e-02, -1.2147e-01, 2.9647e-02, -1.4985e-02]])

O ( P ( = O ) ( [O-] ) O P ( [O-] ) ( O C [C@@H] 1 [C@@H] ( O P ( [O-] ) ( = O ) [O-] ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 ) = O ) C C ( [C@@H] ( O ) C ( N C C C ( = O ) N C C S ) = O ) ( C ) C . c 1 ( C ( = O ) N C C ( = O ) [O-] ) c c c c c 1 . [H+]

[NH3+] C C ( = O ) [O-] . c 1 ( c c c c c 1 ) C ( S C C N C ( = O ) C C N C ( = O ) [C@@H] ( C ( C ) ( C ) C O P ( [O-] ) ( = O ) O P ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@@H] ( O 1 ) n 1 c n c 2 c ( N ) n c n c 1 2 ) O ) O P ( [O-] ) ( [O-] ) = O ) ( [O-] ) = O ) O ) = O

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