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X0G.mol2
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@<TRIPOS>MOLECULE
X0G
30 32 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C4 18.8630 39.6870 1.2020 c6 1 X0G 0.127300
2 C5 19.0630 38.2680 3.1240 c3 1 X0G 0.139500
3 C6 18.4140 37.1270 3.8330 cc 1 X0G 0.479300
4 C7 17.1910 35.6290 4.5860 cd 1 X0G 0.587300
5 C8 16.0520 34.7270 4.7510 cx 1 X0G -0.187000
6 C9 14.6680 35.2290 4.4360 cx 1 X0G -0.103900
7 C10 15.3170 34.2470 3.5270 cx 1 X0G -0.103900
8 N1 18.5900 38.3780 1.7700 n3 1 X0G -0.705600
9 N2 18.2310 35.5960 5.3620 nc 1 X0G -0.376300
10 C3 18.2840 39.7640 -0.1980 c6 1 X0G 0.154100
11 N3 17.2670 36.5830 3.6080 nd 1 X0G -0.701000
12 C1 19.1260 37.3370 0.9080 c6 1 X0G 0.127300
13 C2 18.5450 37.4760 -0.4860 c6 1 X0G 0.154100
14 O1 18.8020 38.7510 -1.0300 os 1 X0G -0.449000
15 O2 19.0440 36.5840 4.8620 os 1 X0G -0.098700
16 H7 19.9430 39.9040 1.1690 h1 1 X0G 0.044450
17 H8 18.3940 40.4570 1.8210 h1 1 X0G 0.044450
18 H9 20.1570 38.1680 3.2040 h1 1 X0G 0.064200
19 H10 18.7990 39.1810 3.6700 h1 1 X0G 0.064200
20 H11 16.1520 34.0320 5.5750 hc 1 X0G 0.102700
21 H12 14.5700 36.2520 4.0980 hc 1 X0G 0.081200
22 H13 13.8690 34.8890 5.0810 hc 1 X0G 0.081200
23 H14 15.6680 34.5970 2.5650 hc 1 X0G 0.081200
24 H15 14.9720 33.2220 3.5370 hc 1 X0G 0.081200
25 H5 18.5350 40.7230 -0.6530 h1 1 X0G 0.054950
26 H6 17.1890 39.6920 -0.1400 h1 1 X0G 0.054950
27 H2 18.8580 36.3530 1.2980 h1 1 X0G 0.044450
28 H1 20.2270 37.3830 0.8600 h1 1 X0G 0.044450
29 H4 17.4630 37.2840 -0.4480 h1 1 X0G 0.054950
30 H3 18.9940 36.7390 -1.1520 h1 1 X0G 0.054950
@<TRIPOS>BOND
1 1 8 1
2 1 10 1
3 1 16 1
4 1 17 1
5 2 3 1
6 2 8 1
7 2 18 1
8 2 19 1
9 3 11 2
10 3 15 1
11 4 5 1
12 4 9 2
13 4 11 1
14 5 6 1
15 5 7 1
16 5 20 1
17 6 7 1
18 6 21 1
19 6 22 1
20 7 23 1
21 7 24 1
22 8 12 1
23 9 15 1
24 10 14 1
25 10 25 1
26 10 26 1
27 12 13 1
28 12 27 1
29 12 28 1
30 13 14 1
31 13 29 1
32 13 30 1
@<TRIPOS>SUBSTRUCTURE
1 X0G 1 TEMP 0 **** **** 0 ROOT