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205.mol2
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@<TRIPOS>MOLECULE
205
26 28 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C1 20.7480 0.3540 27.7450 ca 1 205 -0.088000
2 C2 21.2410 0.0970 26.4700 ca 1 205 0.020400
3 C6 21.5640 0.0250 28.8140 ca 1 205 -0.096000
4 C5 22.8390 -0.5420 28.6460 ca 1 205 -0.110600
5 C4 23.3310 -0.7980 27.3700 ca 1 205 -0.081000
6 C3 22.5020 -0.4660 26.3200 ca 1 205 0.020100
7 C11 21.5360 1.0190 22.1930 ca 1 205 0.153000
8 C10 21.5410 -0.1570 22.9420 ca 1 205 -0.064900
9 C8 21.6000 -0.1290 24.4070 cc 1 205 0.530200
10 C12 21.4750 0.9950 20.8100 ca 1 205 -0.118500
11 C14 21.4240 -1.4150 20.8710 ca 1 205 -0.118500
12 C13 21.4200 -0.2260 20.1580 ca 1 205 -0.093000
13 C15 21.4850 -1.3670 22.2520 ca 1 205 0.153000
14 C18 23.6940 -0.8820 29.8640 c 1 205 0.712600
15 O19 23.1950 -0.6420 30.9790 o 1 205 -0.712500
16 O20 24.8160 -1.3710 29.6350 o 1 205 -0.712500
17 O17 22.7230 -0.6020 24.9860 os 1 205 -0.274700
18 N17 20.6970 0.2950 25.2130 nd 1 205 -0.548100
19 CL16 21.4560 -2.8440 23.1450 cl 1 205 -0.167500
20 H1 19.7710 0.7920 27.8950 ha 1 205 0.109000
21 H6 21.2150 0.2100 29.8200 ha 1 205 0.136000
22 H4 24.3090 -1.2340 27.2220 ha 1 205 0.150000
23 H12 21.4760 1.9180 20.2470 ha 1 205 0.127500
24 H14 21.3740 -2.3650 20.3580 ha 1 205 0.127500
25 H13 21.3730 -0.2530 19.0780 ha 1 205 0.113000
26 CL17 21.6350 2.5440 22.9940 cl 1 205 -0.167500
@<TRIPOS>BOND
1 1 2 ar
2 1 3 ar
3 1 20 1
4 2 6 ar
5 2 18 1
6 3 4 ar
7 3 21 1
8 4 5 ar
9 4 14 1
10 5 6 ar
11 5 22 1
12 6 17 1
13 7 8 ar
14 7 10 ar
15 7 26 1
16 8 9 1
17 8 13 ar
18 9 17 1
19 9 18 2
20 10 12 ar
21 10 23 1
22 11 12 ar
23 11 13 ar
24 11 24 1
25 12 25 1
26 13 19 1
27 14 15 1
28 14 16 1
@<TRIPOS>SUBSTRUCTURE
1 205 1 TEMP 0 **** **** 0 ROOT