@<TRIPOS>MOLECULE
FDBF02419
37 39 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C1 5.4770 0.7370 0.1400 C.ar 1 FRG1 0.0337
2 C2 5.9840 1.0170 -1.1290 C.ar 1 FRG1 -0.0405
3 C3 7.3590 1.1540 -1.3170 C.ar 1 FRG1 -0.0600
4 C4 8.2280 1.0120 -0.2350 C.ar 1 FRG1 -0.0616
5 C5 7.7210 0.7320 1.0340 C.ar 1 FRG1 -0.0600
6 C6 6.3460 0.5950 1.2220 C.ar 1 FRG1 -0.0405
7 C1 1.4400 -2.0720 -0.4490 C.ar 1 FRG1 -0.0157
8 C2 2.0980 -2.9030 0.4570 C.ar 1 FRG1 -0.0540
9 C3 2.5090 -4.1760 0.0640 C.ar 1 FRG1 -0.0612
10 C4 2.2630 -4.6190 -1.2350 C.ar 1 FRG1 -0.0617
11 C5 1.6050 -3.7880 -2.1420 C.ar 1 FRG1 -0.0612
12 C6 1.1930 -2.5140 -1.7490 C.ar 1 FRG1 -0.0540
13 N1 -0.2820 0.8480 0.7720 N.ar 1 FRG1 -0.3549
14 C2 0.8920 1.4460 0.3950 C.ar 1 FRG1 0.0170
15 C3 1.7180 0.4690 -0.1160 C.ar 1 FRG1 0.0621
16 C4 1.0160 -0.7590 -0.0440 C.ar 1 FRG1 0.0117
17 C5 -0.2180 -0.4960 0.5080 C.ar 1 FRG1 0.0127
18 C1 -1.4200 1.5450 1.3590 C.3 1 FRG1 0.0114
19 O1 3.2500 0.9490 -1.8220 O.2 1 FRG1 -0.2698
20 C2 3.0440 0.7040 -0.6180 C.2 1 FRG1 0.2503
21 N3 4.0790 0.5990 0.3300 N.am 1 FRG1 -0.2814
22 H 5.3411 1.1228 -1.9293 H 1 FRG1 0.0636
23 H 7.7335 1.3604 -2.2562 H 1 FRG1 0.0618
24 H 9.2456 1.1141 -0.3733 H 1 FRG1 0.0618
25 H 8.3639 0.6262 1.8343 H 1 FRG1 0.0618
26 H 5.9715 0.3886 2.1612 H 1 FRG1 0.0636
27 H 2.2808 -2.5757 1.4185 H 1 FRG1 0.0624
28 H 2.9956 -4.7908 0.7350 H 1 FRG1 0.0618
29 H 2.5676 -5.5613 -1.5254 H 1 FRG1 0.0618
30 H 1.4229 -4.1154 -3.1036 H 1 FRG1 0.0618
31 H 0.7059 -1.8991 -2.4196 H 1 FRG1 0.0624
32 H 1.1173 2.4496 0.4789 H 1 FRG1 0.0816
33 H -0.9621 -1.1874 0.6905 H 1 FRG1 0.0815
34 H -1.1919 2.5864 1.4504 H 1 FRG1 0.0455
35 H -1.6264 1.1387 2.3271 H 1 FRG1 0.0455
36 H -2.2769 1.4214 0.7303 H 1 FRG1 0.0455
37 H 3.7928 0.4028 1.2513 H 1 FRG1 0.1551
@<TRIPOS>BOND
1 11 12 ar
2 11 10 ar
3 19 20 2
4 12 7 ar
5 3 2 ar
6 3 4 ar
7 10 9 ar
8 2 1 ar
9 20 15 1
10 20 21 am
11 7 16 1
12 7 8 ar
13 4 5 ar
14 15 16 ar
15 15 14 ar
16 16 17 ar
17 9 8 ar
18 1 21 1
19 1 6 ar
20 14 13 ar
21 17 13 ar
22 13 18 1
23 5 6 ar
24 2 22 1
25 3 23 1
26 4 24 1
27 5 25 1
28 6 26 1
29 8 27 1
30 9 28 1
31 10 29 1
32 11 30 1
33 12 31 1
34 14 32 1
35 17 33 1
36 18 34 1
37 18 35 1
38 18 36 1
39 21 37 1