@<TRIPOS>MOLECULE
72941457
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -4.4771     0.4645     0.8245	Cl	1	noname	-0.0586
2	S1    -2.7979    -1.9615     2.4648	S	1	noname	-0.1125
3	O1     1.9761    -1.0795     0.7279	O.2	1	noname	-0.2698
4	O2    -1.6373    -2.6022     3.3742	O.2	1	noname	-0.1981
5	O3    -3.6512    -3.1261     1.7706	O.2	1	noname	-0.1981
6	N1     2.1254     1.1511     0.1396	N.3	1	noname	-0.1013
7	N2     0.0693     2.2108    -0.4329	N.2	1	noname	-0.2002
8	N3    -3.8168    -1.0414     3.5629	N.3	1	noname	-0.0094
9	C1    -0.0117    -0.0028     0.4362	C.2	1	noname	0.0506
10	C2    -0.6713     1.1578    -0.0260	C.2	1	noname	0.0784
11	C3     1.4036     0.0033     0.4313	C.2	1	noname	0.1126
12	C4     3.5234     1.1414     0.3163	C.2	1	noname	-0.0242
13	C5     1.4191     2.2482    -0.3417	C.2	1	noname	0.0560
14	C6    -0.7680    -1.0813     0.9344	C.2	1	noname	0.0790
15	C7    -2.1223    -0.8861     1.2323	C.2	1	noname	0.0624
16	C8     4.2627     2.1461     1.0161	C.2	1	noname	-0.0255
17	C9    -2.0771     1.2126    -0.0189	C.2	1	noname	0.0461
18	C10    -2.8100     0.2131     0.6562	C.2	1	noname	0.0859
19	C11     4.2749     0.0566    -0.2140	C.2	1	noname	-0.0298
20	C12     1.8743     3.5606    -0.8447	C.3	1	noname	-0.0107
21	C13     5.6781     2.1905     0.8838	C.2	1	noname	-0.0584
22	C14     3.6184     3.1120     1.9402	C.3	1	noname	0.0066
23	C15     5.6688    -0.0300    -0.0837	C.2	1	noname	-0.0620
24	C16     6.3826     1.0754     0.3950	C.2	1	noname	-0.0576
25	H1    -0.3237    -1.9756     1.1443	H	1	noname	0.0648
26	H2    -2.5584     1.9908    -0.4784	H	1	noname	0.0661
27	H3     3.7958    -0.6973    -0.7235	H	1	noname	0.0639
28	H4     2.9594     3.6262    -0.9702	H	1	noname	0.0306
29	H5     1.3850     3.7751    -1.7948	H	1	noname	0.0306
30	H6     1.5057     4.3325    -0.1691	H	1	noname	0.0306
31	H7     6.2302     3.0197     1.1516	H	1	noname	0.0625
32	H8     3.7922     4.1273     1.5836	H	1	noname	0.0280
33	H9     2.5463     2.9187     1.9781	H	1	noname	0.0280
34	H10     4.0434     2.9994     2.9376	H	1	noname	0.0280
35	H11     6.1591    -0.8634    -0.4012	H	1	noname	0.0623
36	H12     7.4058     1.0711     0.3723	H	1	noname	0.0622
37	H13    -4.7995    -1.2218     3.3476	H	1	noname	0.1404
38	H14    -3.6217    -1.3233     4.5257	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	18	1
2	2	4	2
3	2	5	2
4	2	8	1
5	2	15	1
6	3	11	2
7	6	11	1
8	6	12	1
9	6	13	1
10	7	10	1
11	7	13	2
12	8	37	1
13	8	38	1
14	9	10	1
15	9	11	1
16	9	14	2
17	10	17	2
18	12	16	1
19	12	19	2
20	13	20	1
21	14	15	1
22	14	25	1
23	15	18	2
24	16	21	2
25	16	22	1
26	17	18	1
27	17	26	1
28	19	23	1
29	19	27	1
30	20	28	1
31	20	29	1
32	20	30	1
33	21	24	1
34	21	31	1
35	22	32	1
36	22	33	1
37	22	34	1
38	23	24	2
39	23	35	1
40	24	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1