@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444631
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     7.7533    -5.1342    -2.3397	Cl	1	noname	-0.0001
2	C1     6.9862    -4.2682    -1.1126	C.2	1	noname	0.0880
3	N1     7.4962    -3.0922    -0.6856	N.2	1	noname	-0.2147
4	N2     5.8562    -4.7411    -0.5436	N.2	1	noname	-0.2250
5	C2     6.9301    -2.3471     0.2964	C.2	1	noname	0.0454
6	C3     5.2261    -4.0631     0.4433	C.2	1	noname	0.0494
7	N3     7.4691    -1.1621     0.7074	N.3	1	noname	0.0093
8	C4     5.7471    -2.8221     0.9094	C.2	1	noname	-0.0175
9	C5     4.0491    -4.6030     0.9994	C.2	1	noname	0.0435
10	C6     8.5730    -0.4871     0.2704	C.2	1	noname	-0.0001
11	C7     5.0710    -2.1291     1.9425	C.2	1	noname	0.0291
12	C8     3.4020    -3.8930     2.0205	C.2	1	noname	0.0661
13	C9     9.4450    -0.8800    -0.7724	C.2	1	noname	-0.0319
14	C10     8.8420     0.7219     0.9435	C.2	1	noname	-0.0319
15	C11     3.9010    -2.6850     2.4815	C.2	1	noname	0.0517
16	O1     2.2770    -4.2150     2.6835	O.3	1	noname	-0.2409
17	C12    10.5469    -0.0830    -1.1263	C.2	1	noname	0.0123
18	C13     9.9439     1.5199     0.5915	C.2	1	noname	0.0123
19	O2     3.1130    -2.1970     3.4545	O.3	1	noname	-0.2433
20	C14     2.0420    -3.1420     3.6076	C.3	1	noname	0.1587
21	C15    10.8018     1.1210    -0.4473	C.2	1	noname	-0.0051
22	S1    12.1688     2.0980    -0.8863	S	1	noname	-0.1276
23	O3    12.5267     1.8301    -2.4112	O.2	1	noname	-0.2002
24	O4    12.0507     3.5230    -0.1902	O.2	1	noname	-0.2002
25	N4    13.4397     1.3711    -0.0692	N.3	1	noname	-0.0111
26	H1     6.9910    -0.7250     1.4274	H	1	noname	0.1357
27	H2     3.6710    -5.4910     0.6674	H	1	noname	0.0674
28	H3     5.4140    -1.2380     2.3005	H	1	noname	0.0659
29	H4     9.2949    -1.7410    -1.2894	H	1	noname	0.0639
30	H5     8.2309     1.0309     1.7005	H	1	noname	0.0639
31	H6    11.1658    -0.3799    -1.8803	H	1	noname	0.0639
32	H7    10.1209     2.3909     1.0926	H	1	noname	0.0639
33	H8     2.0259    -3.5249     4.6296	H	1	noname	0.0892
34	H9     1.0889    -2.6609     3.3826	H	1	noname	0.0892
35	H10    13.9737     0.6961    -0.5142	H	1	noname	0.1404
36	H11    13.6436     1.6371     0.8397	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	6	8	1
10	7	10	1
11	7	26	1
12	8	11	2
13	9	12	1
14	9	27	1
15	10	13	2
16	10	14	1
17	11	15	1
18	11	28	1
19	12	16	1
20	12	15	2
21	13	17	1
22	13	29	1
23	14	18	2
24	14	30	1
25	15	19	1
26	16	20	1
27	17	21	2
28	17	31	1
29	18	21	1
30	18	32	1
31	19	20	1
32	20	33	1
33	20	34	1
34	21	22	1
35	22	23	2
36	22	24	2
37	22	25	1
38	25	35	1
39	25	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1