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@<TRIPOS>MOLECULE
1a1e_ligand
73 74 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
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2 O 44.0670 -7.1860 37.7880 O.2 1 UNL1 -0.2761
3 C 43.5190 -9.0100 36.3320 C.3 1 UNL1 0.0122
4 N 42.1690 -8.3110 38.2080 N.am 1 UNL1 -0.3039
5 C 41.8750 -7.5040 39.3540 C.3 1 UNL1 0.1033
6 C 42.3970 -8.1890 40.5900 C.2 1 UNL1 0.2343
7 O 42.8670 -9.3290 40.5910 O.2 1 UNL1 -0.2738
8 C 40.3910 -7.2910 39.3740 C.3 1 UNL1 -0.0007
9 C 40.0200 -6.4670 38.1650 C.ar 1 UNL1 -0.0449
10 C 39.4330 -7.0660 37.0710 C.ar 1 UNL1 -0.0550
11 C 40.2030 -5.0890 38.1630 C.ar 1 UNL1 -0.0550
12 C 39.0230 -6.2990 35.9910 C.ar 1 UNL1 -0.0191
13 C 39.7950 -4.3030 37.0800 C.ar 1 UNL1 -0.0191
14 C 39.1970 -4.9130 35.9920 C.ar 1 UNL1 0.1322
15 O 38.7140 -4.1030 34.8990 O.3 1 UNL1 -0.4011
16 P 39.5630 -3.9590 33.5410 P.3 1 UNL1 0.5886
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18 O 38.9860 -2.7290 32.9200 O.3 1 UNL1 -0.1039
19 O 40.9750 -3.8330 34.0580 O.3 1 UNL1 -0.1039
20 N 42.3460 -7.4520 41.6620 N.am 1 UNL1 -0.3024
21 C 42.8210 -7.9260 42.9250 C.3 1 UNL1 0.1001
22 C 41.6490 -8.4730 43.7280 C.2 1 UNL1 0.2359
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24 C 43.4630 -6.7590 43.6070 C.3 1 UNL1 -0.0158
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29 N 41.7710 -9.4590 44.6560 N.am 1 UNL1 -0.2997
30 C 43.0100 -10.2080 44.8790 C.3 1 UNL1 0.0147
31 C 40.6720 -9.7740 45.5450 C.3 1 UNL1 0.0175
32 C 43.5030 -9.7480 46.2370 C.3 1 UNL1 -0.0368
33 C 42.3970 -9.9440 47.2660 C.3 1 UNL1 -0.0474
34 C 41.0210 -9.3410 46.9320 C.3 1 UNL1 -0.0252
35 C 40.9160 -7.8430 47.1120 C.3 1 UNL1 -0.0488
36 C 41.2000 -7.5140 48.5540 C.3 1 UNL1 -0.0530
37 C 41.5460 -6.0620 48.7310 C.3 1 UNL1 -0.0559
38 C 40.3430 -5.2830 48.3020 C.3 1 UNL1 -0.0653
39 H 42.7378 -9.7833 36.2893 H 1 UNL1 0.0322
40 H 44.5062 -9.4898 36.4047 H 1 UNL1 0.0322
41 H 43.4764 -8.3951 35.4210 H 1 UNL1 0.0322
42 H 41.5214 -9.0118 37.9089 H 1 UNL1 0.1495
43 H 42.3738 -6.5282 39.2592 H 1 UNL1 0.0598
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45 H 39.8744 -8.2614 39.3368 H 1 UNL1 0.0336
46 H 39.2914 -8.1406 37.0549 H 1 UNL1 0.0621
47 H 40.6711 -4.6140 39.0176 H 1 UNL1 0.0621
48 H 38.5622 -6.7805 35.1361 H 1 UNL1 0.0654
49 H 39.9456 -3.2296 37.0933 H 1 UNL1 0.0654
50 H 41.9644 -6.5297 41.6007 H 1 UNL1 0.1495
51 H 43.5632 -8.7244 42.7773 H 1 UNL1 0.0595
52 H 43.7293 -7.0606 44.6308 H 1 UNL1 0.0293
53 H 42.7334 -5.9367 43.6450 H 1 UNL1 0.0293
54 H 44.9755 -5.2649 43.3235 H 1 UNL1 0.0380
55 H 44.5259 -6.1712 41.8392 H 1 UNL1 0.0380
56 H 43.7496 -9.9743 44.0990 H 1 UNL1 0.0464
57 H 42.8127 -11.2901 44.8848 H 1 UNL1 0.0464
58 H 40.4890 -10.8586 45.5335 H 1 UNL1 0.0467
59 H 39.7665 -9.2458 45.2118 H 1 UNL1 0.0467
60 H 43.7750 -8.6833 46.1881 H 1 UNL1 0.0280
61 H 44.3843 -10.3387 46.5276 H 1 UNL1 0.0280
62 H 42.7373 -9.4929 48.2098 H 1 UNL1 0.0269
63 H 42.2605 -11.0266 47.4052 H 1 UNL1 0.0269
64 H 40.2896 -9.7888 47.6209 H 1 UNL1 0.0316
65 H 39.9023 -7.5076 46.8476 H 1 UNL1 0.0268
66 H 41.6493 -7.3392 46.4651 H 1 UNL1 0.0268
67 H 42.0448 -8.1273 48.9007 H 1 UNL1 0.0265
68 H 40.3083 -7.7446 49.1554 H 1 UNL1 0.0265
69 H 42.4119 -5.7988 48.1057 H 1 UNL1 0.0263
70 H 41.7780 -5.8525 49.7856 H 1 UNL1 0.0263
71 H 40.5443 -4.2072 48.4124 H 1 UNL1 0.0230
72 H 39.4832 -5.5613 48.9290 H 1 UNL1 0.0230
73 H 40.1170 -5.5076 47.2492 H 1 UNL1 0.0230
@<TRIPOS>BOND
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