@<TRIPOS>MOLECULE
71588002
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     5.6392    -3.3211     3.0047	Cl	1	noname	-0.0301
2	S1     3.0475    -0.2370    -0.4006	S	1	noname	-0.0964
3	O1     2.8599     1.0400     0.5279	O.2	1	noname	-0.1946
4	O2     4.5637    -0.7130    -0.3472	O.2	1	noname	-0.1946
5	N1     2.0521    -1.4762     0.1435	N.3	1	noname	0.1129
6	N2     1.6259     1.1305    -5.9080	N.3	1	noname	-0.1510
7	N3     3.6852    -2.3371     1.5501	N.2	1	noname	-0.1969
8	N4     1.9633    -2.1550     3.6608	N.2	1	noname	-0.2263
9	C1     2.6271     0.1674    -2.0293	C.2	1	noname	-0.0163
10	C2     1.2946     0.3566    -2.3765	C.2	1	noname	0.0114
11	C3     3.6219     0.3032    -2.9906	C.2	1	noname	0.0114
12	C4     1.9515     0.8173    -4.6464	C.2	1	noname	-0.0035
13	C5     0.9568     0.6815    -3.6851	C.2	1	noname	-0.0446
14	C6     3.2841     0.6281    -4.2992	C.2	1	noname	-0.0446
15	C7     2.4461    -1.8619     1.3648	C.2	1	noname	0.0749
16	C8     1.5693    -1.7692     2.4395	C.2	1	noname	0.0394
17	C9     4.0792    -2.7229     2.7714	C.2	1	noname	0.0771
18	C10     3.2024    -2.6302     3.8461	C.2	1	noname	0.0410
19	H1     0.5646     0.2569    -1.6711	H	1	noname	0.0639
20	H2     4.5997     0.1644    -2.7357	H	1	noname	0.0639
21	H3    -0.0211     0.8203    -3.9400	H	1	noname	0.0639
22	H4     4.0141     0.7278    -5.0046	H	1	noname	0.0639
23	H5     0.6261    -1.4075     2.2984	H	1	noname	0.0873
24	H6     0.6633     1.2264    -5.9791	H	1	noname	0.1242
25	H7     1.9256     0.4261    -6.5037	H	1	noname	0.1242
26	H8     3.5023    -2.9238     4.7757	H	1	noname	0.0872
27	H9     1.1358    -1.1606     0.1840	H	1	noname	0.1522
@<TRIPOS>BOND
1	1	17	1
2	2	3	2
3	2	4	2
4	2	5	1
5	2	9	1
6	5	15	1
7	5	27	1
8	6	12	1
9	6	24	1
10	6	25	1
11	7	15	1
12	7	17	2
13	8	16	1
14	8	18	2
15	9	10	2
16	9	11	1
17	10	13	1
18	10	19	1
19	11	14	2
20	11	20	1
21	12	13	2
22	12	14	1
23	13	21	1
24	14	22	1
25	15	16	2
26	16	23	1
27	17	18	1
28	18	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1