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@<TRIPOS>MOLECULE
Cpptraj Generated mol2 file.
24 25 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 17.4338 9.2447 -28.3745 ca 1 TCS -0.003900
2 C2 18.4251 8.6128 -27.6049 ca 1 TCS 0.143100
3 C3 19.7483 8.8075 -27.9145 ca 1 TCS -0.149000
4 C4 20.1048 9.4314 -29.1076 ca 1 TCS 0.046400
5 C5 19.1291 9.8545 -29.9972 ca 1 TCS -0.150000
6 C6 17.7761 9.8521 -29.5645 ca 1 TCS -0.099000
7 O1 16.1069 9.1986 -27.9796 os 1 TCS -0.245200
8 O2 18.0888 7.9501 -26.4403 oh 1 TCS -0.485100
9 C7 15.4802 10.0992 -27.1230 ca 1 TCS 0.111100
10 C8 14.0571 10.2461 -27.2521 ca 1 TCS 0.004400
11 C9 13.4344 11.0127 -26.3050 ca 1 TCS -0.101000
12 C10 14.0736 11.6268 -25.2697 ca 1 TCS 0.001400
13 C11 15.4491 11.4651 -25.1422 ca 1 TCS -0.096000
14 C12 16.1377 10.7427 -26.1046 ca 1 TCS -0.163000
15 CL2 13.1928 9.4969 -28.5133 cl 1 TCS -0.057400
16 CL3 13.2783 12.6501 -24.0616 cl 1 TCS -0.079400
17 CL1 21.8001 9.5241 -29.5642 cl 1 TCS -0.080400
18 H18 20.4954 8.3971 -27.2399 ha 1 TCS 0.171000
19 H19 19.3152 10.2121 -31.0067 ha 1 TCS 0.155000
20 H20 16.9530 10.1845 -30.1919 ha 1 TCS 0.156000
21 H21 17.1317 7.8169 -26.3186 ho 1 TCS 0.441000
22 H22 12.3627 11.1940 -26.2936 ha 1 TCS 0.166000
23 H23 16.0402 11.8815 -24.3306 ha 1 TCS 0.156000
24 H24 17.2070 10.5700 -26.0126 ha 1 TCS 0.159000
@<TRIPOS>BOND
1 13 14 1
2 12 13 1
3 12 16 1
4 11 12 1
5 10 11 1
6 10 15 1
7 9 10 1
8 9 14 1
9 7 9 1
10 5 6 1
11 4 5 1
12 4 17 1
13 3 4 1
14 2 3 1
15 2 8 1
16 1 2 1
17 1 6 1
18 1 7 1
19 14 24 1
20 13 23 1
21 11 22 1
22 8 21 1
23 6 20 1
24 5 19 1
25 3 18 1
@<TRIPOS>SUBSTRUCTURE
1 TCS 1 **** 0 **** ****
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