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XBZ.mol2
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@<TRIPOS>MOLECULE
XBZ
21 21 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C8 3.0790 0.4000 0.0490 c3 1 XBZ -0.044800
2 C5 1.6210 0.0450 -0.0000 ca 1 XBZ -0.076300
3 C4 0.6440 1.0390 0.0650 ca 1 XBZ -0.108000
4 C3 -0.7150 0.7480 0.0420 ca 1 XBZ -0.072300
5 C9 -1.7280 1.8530 0.1100 c3 1 XBZ -0.045800
6 C6 1.1980 -1.2740 -0.0960 ca 1 XBZ -0.111000
7 C7 -0.1570 -1.5820 -0.1190 ca 1 XBZ -0.105000
8 C2 -1.1290 -0.5910 -0.0500 ca 1 XBZ -0.079300
9 C1 -2.5870 -0.9430 -0.0720 c3 1 XBZ -0.044800
10 H1 3.3650 0.7540 1.0410 hc 1 XBZ 0.041033
11 H2 3.7070 -0.4580 -0.1860 hc 1 XBZ 0.041033
12 H3 3.3220 1.1970 -0.6560 hc 1 XBZ 0.041033
13 H4 0.9550 2.0760 0.1350 ha 1 XBZ 0.107000
14 H5 -2.3690 1.8640 -0.7740 hc 1 XBZ 0.040367
15 H6 -2.3880 1.7420 0.9730 hc 1 XBZ 0.040367
16 H7 -1.2490 2.8290 0.1830 hc 1 XBZ 0.040367
17 H8 1.9290 -2.0730 -0.1510 ha 1 XBZ 0.110000
18 H9 -0.4640 -2.6190 -0.1950 ha 1 XBZ 0.109000
19 H10 -3.0930 -0.6220 0.8410 hc 1 XBZ 0.040033
20 H11 -3.1090 -0.4630 -0.9030 hc 1 XBZ 0.040033
21 H12 -2.7320 -2.0190 -0.1690 hc 1 XBZ 0.040033
@<TRIPOS>BOND
1 1 2 1
2 1 10 1
3 1 11 1
4 1 12 1
5 2 3 ar
6 2 6 ar
7 3 4 ar
8 3 13 1
9 4 5 1
10 4 8 ar
11 5 14 1
12 5 15 1
13 5 16 1
14 6 7 ar
15 6 17 1
16 7 8 ar
17 7 18 1
18 8 9 1
19 9 19 1
20 9 20 1
21 9 21 1
@<TRIPOS>SUBSTRUCTURE
1 XBZ 1 TEMP 0 **** **** 0 ROOT