@<TRIPOS>MOLECULE
FDBF06480
20 20 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C1 7.1390 -0.9000 -1.2350 C.ar 1 FRG1 0.1216
2 N2 7.7340 -2.0770 -1.3550 N.ar 1 FRG1 -0.2403
3 C3 8.6370 -2.4890 -0.4790 C.ar 1 FRG1 0.0297
4 C4 8.9830 -1.6980 0.6070 C.ar 1 FRG1 -0.0435
5 C5 8.3760 -0.4630 0.7670 C.ar 1 FRG1 -0.0571
6 C6 7.4390 -0.0590 -0.1710 C.ar 1 FRG1 -0.0217
7 C1 4.8880 -0.7340 -1.9690 C.3 1 FRG1 0.0566
8 S2 4.3880 -1.6300 -0.5980 S.3 1 FRG1 -0.1592
9 N3 6.1980 -0.5040 -2.1830 N.pl3 1 FRG1 -0.3092
10 C5 6.6330 0.1640 -3.4120 C.3 1 FRG1 0.0028
11 H 9.0884 -3.4084 -0.6053 H 1 FRG1 0.0830
12 H 9.6851 -2.0261 1.2884 H 1 FRG1 0.0633
13 H 8.6163 0.1429 1.5671 H 1 FRG1 0.0619
14 H 6.9698 0.8557 -0.0800 H 1 FRG1 0.0652
15 H 4.5215 -1.2550 -2.8288 H 1 FRG1 0.0577
16 H 4.4946 0.2431 -1.7807 H 1 FRG1 0.0577
17 H 4.8283 -2.9120 -0.7090 H 1 FRG1 0.1032
18 H 5.7792 0.3922 -4.0153 H 1 FRG1 0.0428
19 H 7.2912 -0.4816 -3.9551 H 1 FRG1 0.0428
20 H 7.1463 1.0693 -3.1634 H 1 FRG1 0.0428
@<TRIPOS>BOND
1 10 9 1
2 9 7 1
3 9 1 1
4 7 8 1
5 2 1 ar
6 2 3 ar
7 1 6 ar
8 3 4 ar
9 6 5 ar
10 4 5 ar
11 3 11 1
12 4 12 1
13 5 13 1
14 6 14 1
15 7 15 1
16 7 16 1
17 8 17 1
18 10 18 1
19 10 19 1
20 10 20 1