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@<TRIPOS>MOLECULE
1a5u_ATP_G_1
31 33 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 P 58.5920 244.7070 27.4230 P.3 1 UNL1 0.2189
2 P 56.0400 245.3690 26.4660 P.3 1 UNL1 0.2277
3 P 55.8670 243.0900 24.8590 P.3 1 UNL1 0.5373
4 C 58.4000 246.2830 29.4990 C.3 1 UNL1 0.1813
5 O 59.2520 245.7230 28.5530 O.3 1 UNL1 -0.3112
6 C 58.4920 247.8050 29.3820 C.3 1 UNL1 0.1822
7 O 59.8780 248.1730 29.4020 O.3 1 UNL1 -0.3133
8 C 57.9970 248.3680 28.0830 C.3 1 UNL1 0.2185
9 O 56.5730 248.4700 28.0580 O.3 1 UNL1 -0.2174
10 C 58.7200 249.6560 28.0730 C.3 1 UNL1 0.2573
11 O 58.0130 250.6280 28.8560 O.3 1 UNL1 -0.2130
12 C 60.0450 249.3060 28.6720 C.3 1 UNL1 0.3227
13 N 63.0820 251.4970 25.4060 N.2 1 UNL1 0.0233
14 O 57.9140 243.5550 28.1820 O.3 1 UNL1 -0.4371
15 O 55.4970 246.7340 26.2500 O.2 1 UNL1 -0.5168
16 O 56.5690 242.3590 25.8780 O.3 1 UNL1 -0.1143
17 C 62.2880 251.9630 26.4220 C.2 1 UNL1 0.4723
18 O 59.7440 244.2740 26.6570 O.2 1 UNL1 -0.5170
19 O 55.5310 244.7710 27.7220 O.3 1 UNL1 -0.4368
20 O 54.5440 242.4490 24.6410 O.3 1 UNL1 -0.1143
21 N 61.5400 251.2930 27.2530 N.2 1 UNL1 0.0157
22 O 57.6040 245.3910 26.4960 O.3 1 UNL1 -0.2700
23 O 55.5840 244.6020 25.3220 O.3 1 UNL1 -0.2258
24 O 56.6580 243.0260 23.7210 O.2 1 UNL1 -0.2221
25 C 61.6330 249.9850 27.0110 C.2 1 UNL1 0.3612
26 C 62.3660 249.3530 26.0220 C.2 1 UNL1 0.2581
27 C 63.1150 250.1820 25.1420 C.2 1 UNL1 0.4441
28 N 63.9090 249.8080 24.1230 N.pl3 1 UNL1 0.2185
29 N 62.2030 247.9950 26.1130 N.2 1 UNL1 -0.1898
30 C 61.3440 247.8440 27.1300 C.2 1 UNL1 0.2844
31 N 60.9760 249.0290 27.6700 N.pl3 1 UNL1 -0.1246
@<TRIPOS>BOND
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2 28 27 1
3 20 3 1
4 3 23 1
5 3 16 1
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8 23 2 1
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11 26 25 2
12 29 30 2
13 15 2 2
14 17 21 2
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16 2 19 1
17 22 1 1
18 18 1 2
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20 25 31 1
21 30 31 1
22 1 14 1
23 1 5 1
24 31 12 1
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27 10 12 1
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31 12 7 1
32 6 7 1
33 6 4 1
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