@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4169
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     5.2497     1.5107     0.5330	Cl	1	noname	-0.0766
2	C1     4.8017     2.0877     2.0681	C.2	1	noname	0.0158
3	C2     3.5286     1.8428     2.6531	C.2	1	noname	0.0269
4	C3     5.7627     2.8438     2.7671	C.2	1	noname	-0.0208
5	C4     2.5505     1.0828     1.9591	C.2	1	noname	0.0579
6	C5     3.2476     2.3698     3.9442	C.2	1	noname	0.0158
7	C6     5.4756     3.3589     4.0382	C.2	1	noname	-0.0362
8	C7     2.4735    -0.3301     2.0812	C.2	1	noname	0.1043
9	C8     1.6304     1.7339     1.1282	C.2	1	noname	0.0083
10	Cl2     1.7645     2.1429     4.7443	Cl	1	noname	-0.0766
11	C9     4.2246     3.1239     4.6243	C.2	1	noname	-0.0208
12	O1     3.2955    -0.9161     2.8243	O.2	1	noname	-0.2741
13	N1     1.5114    -1.0511     1.3952	N.3	1	noname	-0.1270
14	C10     0.6484     1.0029     0.4302	C.2	1	noname	-0.0204
15	C11     0.5943    -0.4080     0.5702	C.2	1	noname	0.0050
16	C12     1.4674    -2.4821     1.5452	C.3	1	noname	-0.0003
17	C13    -0.2786     1.6550    -0.4027	C.2	1	noname	0.0104
18	C14    -0.4037    -1.1110    -0.1437	C.2	1	noname	-0.0089
19	N2    -1.2147     0.9320    -1.0617	N.2	1	noname	-0.2664
20	C15    -1.3098    -0.4169    -0.9617	C.2	1	noname	0.0302
21	N3    -2.2609    -1.0979    -1.6357	N.3	1	noname	-0.1107
22	C16    -3.2129    -0.4619    -2.4736	C.3	1	noname	-0.0101
23	H1     6.6797     3.0259     2.3562	H	1	noname	0.0638
24	H2     6.1776     3.9059     4.5373	H	1	noname	0.0623
25	H3     1.6704     2.7510     1.0272	H	1	noname	0.0638
26	H4     4.0335     3.5080     5.5514	H	1	noname	0.0638
27	H5     1.6103    -2.9571     0.5742	H	1	noname	0.0403
28	H6     0.4983    -2.7791     1.9513	H	1	noname	0.0403
29	H7     2.2373    -2.8651     2.2173	H	1	noname	0.0403
30	H8    -0.2566     2.6701    -0.5177	H	1	noname	0.0846
31	H9    -0.4767    -2.1250    -0.0706	H	1	noname	0.0673
32	H10    -2.2979    -2.0619    -1.5406	H	1	noname	0.1292
33	H11    -3.8710    -1.2168    -2.9046	H	1	noname	0.0396
34	H12    -3.8110     0.2431    -1.8945	H	1	noname	0.0396
35	H13    -2.7050     0.0701    -3.2806	H	1	noname	0.0396
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	23	1
8	5	8	1
9	5	9	2
10	6	10	1
11	6	11	2
12	7	11	1
13	7	24	1
14	8	12	2
15	8	13	1
16	9	14	1
17	9	25	1
18	11	26	1
19	13	15	1
20	13	16	1
21	14	17	1
22	14	15	2
23	15	18	1
24	16	27	1
25	16	28	1
26	16	29	1
27	17	19	2
28	17	30	1
29	18	20	2
30	18	31	1
31	19	20	1
32	20	21	1
33	21	22	1
34	21	32	1
35	22	33	1
36	22	34	1
37	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1