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271.mol2
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@<TRIPOS>MOLECULE
271
20 20 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 N03 -2.2360 0.2520 -0.4780 n7 1 271 -0.858400
2 C04 -3.6550 0.1930 -0.1940 c3 1 271 0.144100
3 C23 -1.4300 -0.2410 0.6220 c3 1 271 0.202100
4 C24 0.0400 -0.1490 0.3100 ca 1 271 -0.091300
5 C25 0.6060 1.0690 -0.0650 ca 1 271 -0.096000
6 C26 1.9600 1.1640 -0.3460 ca 1 271 -0.115000
7 C27 2.7730 0.0380 -0.2620 ca 1 271 -0.108000
8 C28 2.2180 -1.1800 0.1030 ca 1 271 -0.115000
9 C29 0.8590 -1.2700 0.3850 ca 1 271 -0.096000
10 H03 -2.0380 -0.3030 -1.3010 hn 1 271 0.411000
11 H041 -4.0170 -0.8030 0.0960 h1 1 271 0.029367
12 H042 -3.9000 0.8780 0.6200 h1 1 271 0.029367
13 H043 -4.2190 0.5110 -1.0710 h1 1 271 0.029367
14 H231 -1.6540 0.3740 1.5010 h1 1 271 0.035200
15 H232 -1.6770 -1.2760 0.9070 h1 1 271 0.035200
16 H25 -0.0230 1.9490 -0.1360 ha 1 271 0.115500
17 H26 2.3860 2.1180 -0.6310 ha 1 271 0.111500
18 H27 3.8300 0.1120 -0.4810 ha 1 271 0.111000
19 H28 2.8410 -2.0630 0.1660 ha 1 271 0.111500
20 H29 0.4330 -2.2260 0.6670 ha 1 271 0.115500
@<TRIPOS>BOND
1 1 2 1
2 1 3 1
3 1 10 1
4 2 11 1
5 2 12 1
6 2 13 1
7 3 4 1
8 3 14 1
9 3 15 1
10 4 5 ar
11 4 9 ar
12 5 6 ar
13 5 16 1
14 6 7 ar
15 6 17 1
16 7 8 ar
17 7 18 1
18 8 9 ar
19 8 19 1
20 9 20 1
@<TRIPOS>SUBSTRUCTURE
1 271 1 TEMP 0 **** **** 0 ROOT