@<TRIPOS>MOLECULE
FDBF07554
42 43 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 N1 0.8590 -2.0210 1.1550 N.4 1 FRG1 0.2204
2 C1 0.7350 -4.0840 2.4680 C.3 1 FRG1 0.1246
3 O2 -0.6810 -4.2210 2.2300 O.3 1 FRG1 -0.3379
4 C3 -1.1580 -5.2620 3.0920 C.3 1 FRG1 0.1708
5 O4 -0.0520 -5.7820 3.8490 O.3 1 FRG1 -0.3458
6 C5 0.9160 -4.7050 3.8750 C.3 1 FRG1 0.0822
7 C8 -2.2070 -4.6950 4.0500 C.3 1 FRG1 0.0017
8 C9 -3.3890 -4.1480 3.2470 C.3 1 FRG1 -0.0449
9 C10 -4.0070 -5.2760 2.4170 C.3 1 FRG1 -0.0358
10 C11 -2.9560 -5.8340 1.4550 C.3 1 FRG1 -0.0449
11 C12 -1.7730 -6.3840 2.2540 C.3 1 FRG1 0.0017
12 C1 1.1420 -2.6100 2.4710 C.3 1 FRG1 -0.0062
13 C1 -5.1920 -4.7310 1.6170 C.3 1 FRG1 -0.0349
14 C3 -5.8090 -5.8580 0.7870 C.3 1 FRG1 -0.0598
15 C7 -6.2420 -4.1720 2.5800 C.3 1 FRG1 -0.0598
16 C11 -4.7100 -3.6160 0.6860 C.3 1 FRG1 -0.0598
17 H 1.1305 -1.0378 1.1571 H 1 FRG1 0.1995
18 H -0.1383 -2.0979 0.9554 H 1 FRG1 0.1995
19 H 1.3884 -2.5184 0.4389 H 1 FRG1 0.1995
20 H 1.3368 -4.5543 1.7186 H 1 FRG1 0.0674
21 H 0.6911 -3.9972 4.6453 H 1 FRG1 0.0589
22 H 1.9157 -5.0252 4.0825 H 1 FRG1 0.0589
23 H -1.7728 -3.9060 4.6278 H 1 FRG1 0.0317
24 H -2.5485 -5.4700 4.7040 H 1 FRG1 0.0317
25 H -4.1242 -3.7544 3.9175 H 1 FRG1 0.0270
26 H -3.0485 -3.3707 2.5953 H 1 FRG1 0.0270
27 H -4.3450 -6.0547 3.0684 H 1 FRG1 0.0306
28 H -3.3883 -6.6198 0.8715 H 1 FRG1 0.0270
29 H -2.6161 -5.0535 0.8068 H 1 FRG1 0.0270
30 H -1.0368 -6.7708 1.5807 H 1 FRG1 0.0317
31 H -2.1120 -7.1668 2.8999 H 1 FRG1 0.0317
32 H 0.5867 -2.0882 3.2222 H 1 FRG1 0.0840
33 H 2.1882 -2.5293 2.6803 H 1 FRG1 0.0840
34 H -5.0746 -6.2485 0.1139 H 1 FRG1 0.0235
35 H -6.6380 -5.4767 0.2282 H 1 FRG1 0.0235
36 H -6.1460 -6.6372 1.4383 H 1 FRG1 0.0235
37 H -7.0711 -3.7906 2.0214 H 1 FRG1 0.0235
38 H -5.8100 -3.3836 3.1603 H 1 FRG1 0.0235
39 H -6.5790 -4.9510 3.2316 H 1 FRG1 0.0235
40 H -3.9759 -4.0062 0.0125 H 1 FRG1 0.0235
41 H -4.2781 -2.8281 1.2669 H 1 FRG1 0.0235
42 H -5.5391 -3.2342 0.1277 H 1 FRG1 0.0235
@<TRIPOS>BOND
1 16 13 1
2 14 13 1
3 1 12 1
4 10 11 1
5 10 9 1
6 13 9 1
7 13 15 1
8 3 2 1
9 3 4 1
10 11 4 1
11 9 8 1
12 2 12 1
13 2 6 1
14 4 5 1
15 4 7 1
16 8 7 1
17 5 6 1
18 1 17 1
19 1 18 1
20 1 19 1
21 2 20 1
22 6 21 1
23 6 22 1
24 7 23 1
25 7 24 1
26 8 25 1
27 8 26 1
28 9 27 1
29 10 28 1
30 10 29 1
31 11 30 1
32 11 31 1
33 12 32 1
34 12 33 1
35 14 34 1
36 14 35 1
37 14 36 1
38 15 37 1
39 15 38 1
40 15 39 1
41 16 40 1
42 16 41 1
43 16 42 1