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285.mol2
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@<TRIPOS>MOLECULE
285
21 21 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 N1 0.5200 -1.1370 0.1490 n7 1 285 -0.886400
2 C2 -0.8470 -0.6880 0.3520 c5 1 285 0.134500
3 C2M -1.8700 -1.6210 -0.2630 c3 1 285 -0.079100
4 C3 -0.7830 0.6890 -0.3090 c5 1 285 0.169300
5 C3M -1.7330 1.7050 0.2860 c3 1 285 -0.100100
6 O4 0.5730 1.0980 -0.1550 os 1 285 -0.462000
7 C5 1.3260 0.0390 0.4050 c5 1 285 0.397500
8 C5M 2.6910 -0.0420 -0.2360 c3 1 285 -0.091100
9 H1 0.7670 -1.8950 0.7740 hn 1 285 0.425000
10 H2 -1.0820 -0.5530 1.4220 h1 1 285 0.028700
11 H2M1 -1.8470 -2.6000 0.2180 hc 1 285 0.041367
12 H2M2 -2.8790 -1.2240 -0.1440 hc 1 285 0.041367
13 H2M3 -1.6780 -1.7590 -1.3280 hc 1 285 0.041367
14 H3 -0.9970 0.5820 -1.3810 h1 1 285 0.059700
15 H3M1 -1.5610 1.8290 1.3570 hc 1 285 0.042367
16 H3M2 -1.6300 2.6780 -0.1960 hc 1 285 0.042367
17 H3M3 -2.7650 1.3790 0.1450 hc 1 285 0.042367
18 H5 1.4480 0.2260 1.4870 h2 1 285 0.012700
19 H5M1 2.6040 -0.2210 -1.3080 hc 1 285 0.047033
20 H5M2 3.2560 0.8770 -0.0760 hc 1 285 0.047033
21 H5M3 3.2630 -0.8590 0.2040 hc 1 285 0.047033
@<TRIPOS>BOND
1 1 2 1
2 1 7 1
3 1 9 1
4 2 3 1
5 2 4 1
6 2 10 1
7 3 11 1
8 3 12 1
9 3 13 1
10 4 5 1
11 4 6 1
12 4 14 1
13 5 15 1
14 5 16 1
15 5 17 1
16 6 7 1
17 7 8 1
18 7 18 1
19 8 19 1
20 8 20 1
21 8 21 1
@<TRIPOS>SUBSTRUCTURE
1 285 1 TEMP 0 **** **** 0 ROOT