@<TRIPOS>MOLECULE
56845520
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.3803     3.5777     2.7922	Cl	1	noname	-0.1166
2	S1     5.6372    -0.3319     2.3456	S.3	1	noname	-0.2613
3	O1     2.5938     1.3368    -3.8534	O.3	1	noname	-0.3829
4	O2     2.4676     3.8594    -0.6893	O.2	1	noname	-0.2688
5	N1     4.0512     2.1403    -0.3630	N.3	1	noname	-0.1208
6	C1     3.9756     1.6227    -1.7545	C.3	1	noname	0.0428
7	C2     4.8641     1.4341     0.5844	C.2	1	noname	0.0057
8	C3     2.6548     1.8627    -2.5395	C.3	1	noname	0.0625
9	C4     5.2384     2.0740    -2.5218	C.3	1	noname	-0.0464
10	C5     5.7990     2.0519     1.4814	C.2	1	noname	-0.0003
11	C6     4.8099     0.0247     0.8354	C.2	1	noname	0.0301
12	C7     3.3428     3.3263     0.0251	C.2	1	noname	0.1426
13	C8     6.0970     1.3237     2.6433	C.2	1	noname	-0.0122
14	C9     6.4730     3.3557     1.3257	C.3	1	noname	0.0128
15	C10     4.1570    -1.1070     0.1657	C.3	1	noname	0.0304
16	C11     3.4706     4.2526     1.1758	C.3	1	noname	0.0966
17	C12     1.3308     1.6409    -4.4267	C.3	1	noname	0.0356
18	H1     4.0085     0.5439    -1.7722	H	1	noname	0.0497
19	H2     1.8131     1.4865    -1.9580	H	1	noname	0.0582
20	H3     2.4869     2.9372    -2.6131	H	1	noname	0.0582
21	H4     5.1948     1.7003    -3.5448	H	1	noname	0.0247
22	H5     5.2860     3.1629    -2.5346	H	1	noname	0.0247
23	H6     6.1251     1.6772    -2.0275	H	1	noname	0.0247
24	H7     6.4954     1.6711     3.5072	H	1	noname	0.0742
25	H8     6.2084     4.0036     2.1614	H	1	noname	0.0280
26	H9     6.1557     3.8195     0.3917	H	1	noname	0.0280
27	H10     7.5527     3.2069     1.3091	H	1	noname	0.0280
28	H11     3.4022    -1.5338     0.8263	H	1	noname	0.0288
29	H12     3.6825    -0.7612    -0.7526	H	1	noname	0.0288
30	H13     4.9015    -1.8663    -0.0736	H	1	noname	0.0288
31	H14     2.7424     5.0575     1.0770	H	1	noname	0.0531
32	H15     4.4836     4.6527     1.1325	H	1	noname	0.0531
33	H16     1.2838     1.2362    -5.4377	H	1	noname	0.0529
34	H17     0.5405     1.1975    -3.8208	H	1	noname	0.0529
35	H18     1.1985     2.7222    -4.4617	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	16	1
2	2	11	1
3	2	13	1
4	3	8	1
5	3	17	1
6	4	12	2
7	6	5	1
8	5	7	1
9	5	12	1
10	6	8	1
11	6	9	1
12	6	18	1
13	7	10	1
14	7	11	2
15	8	19	1
16	8	20	1
17	9	21	1
18	9	22	1
19	9	23	1
20	10	13	2
21	10	14	1
22	11	15	1
23	12	16	1
24	13	24	1
25	14	25	1
26	14	26	1
27	14	27	1
28	15	28	1
29	15	29	1
30	15	30	1
31	16	31	1
32	16	32	1
33	17	33	1
34	17	34	1
35	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1