@<TRIPOS>MOLECULE
71306834
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -7.3875    -4.9622     0.3935	Cl	1	noname	-0.0671
2	Cl2    -6.3054     0.4234     0.2780	Cl	1	noname	-0.0671
3	Cl3   -11.2567    -1.2647     0.4282	Cl	1	noname	-0.0842
4	O1    -5.4508    -2.6347     0.3366	O.3	1	noname	-0.2582
5	O2    -0.2292    -2.1839    -0.1857	O.2	1	noname	-0.2656
6	N1    -2.1262    -0.9064    -0.0081	N.3	1	noname	-0.0399
7	N2     0.1617     0.0063    -0.3743	N.3	1	noname	-0.1579
8	N3     1.0773     1.9873    -0.8996	N.2	1	noname	-0.2217
9	C1    -2.6177     0.3733     0.4164	C.3	1	noname	0.0072
10	C2    -3.0497    -2.0369     0.1293	C.3	1	noname	0.0314
11	C3    -3.2714     1.2470    -0.6728	C.3	1	noname	-0.0427
12	C4    -4.4684    -2.0664    -0.5626	C.3	1	noname	0.0668
13	C5    -0.7448    -1.0469    -0.2308	C.2	1	noname	0.0460
14	C6    -3.7373     2.5674    -0.0559	C.3	1	noname	-0.0641
15	C7    -6.8070    -2.2940     0.2612	C.2	1	noname	0.0621
16	C8     1.3514     0.1183     0.2573	C.2	1	noname	0.0098
17	C9     0.0559     1.1420    -1.1039	C.2	1	noname	0.0345
18	C10     1.8832     1.3786    -0.0201	C.2	1	noname	0.0279
19	C11    -7.7974    -3.3239     0.3363	C.2	1	noname	0.0331
20	C12    -7.2884    -0.9487     0.2503	C.2	1	noname	0.0331
21	C13    -9.1818    -3.0175     0.3918	C.2	1	noname	0.0135
22	C14    -8.6652    -0.6571     0.2683	C.2	1	noname	0.0135
23	C15    -9.6121    -1.6779     0.3523	C.2	1	noname	-0.0073
24	H1    -3.3166     0.2384     1.2419	H	1	noname	0.0436
25	H2    -1.7737     0.9725     0.7580	H	1	noname	0.0436
26	H3    -3.1539    -2.2949     1.1832	H	1	noname	0.0460
27	H4    -2.5129    -2.9092    -0.2437	H	1	noname	0.0460
28	H5    -4.1277     0.7212    -1.0951	H	1	noname	0.0277
29	H6    -2.5454     1.4500    -1.4601	H	1	noname	0.0277
30	H7    -4.7638    -1.0517    -0.8291	H	1	noname	0.0585
31	H8    -4.4337    -2.6174    -1.5024	H	1	noname	0.0585
32	H9    -4.1995     3.1851    -0.8260	H	1	noname	0.0231
33	H10    -4.4634     2.3644     0.7313	H	1	noname	0.0231
34	H11    -2.8810     3.0933     0.3663	H	1	noname	0.0231
35	H12     1.7684    -0.5606     0.9002	H	1	noname	0.0813
36	H13    -0.6922     1.3680    -1.7828	H	1	noname	0.1020
37	H14     2.7464     1.7808     0.3519	H	1	noname	0.0853
38	H15    -9.8922    -3.7524     0.4660	H	1	noname	0.0654
39	H16    -8.9844     0.3132     0.2353	H	1	noname	0.0654
@<TRIPOS>BOND
1	1	19	1
2	2	20	1
3	3	23	1
4	4	12	1
5	4	15	1
6	5	13	2
7	6	9	1
8	6	10	1
9	6	13	1
10	7	13	1
11	7	16	1
12	7	17	1
13	8	17	2
14	8	18	1
15	9	11	1
16	9	24	1
17	9	25	1
18	10	12	1
19	10	26	1
20	10	27	1
21	11	14	1
22	11	28	1
23	11	29	1
24	12	30	1
25	12	31	1
26	14	32	1
27	14	33	1
28	14	34	1
29	15	19	2
30	15	20	1
31	16	18	2
32	16	35	1
33	17	36	1
34	18	37	1
35	19	21	1
36	20	22	2
37	21	23	2
38	21	38	1
39	22	23	1
40	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1