@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446102
33 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.7475    -8.4805    -0.8275	Cl	1	noname	-0.0729
2	C1     2.7265    -7.5905    -1.8935	C.2	1	noname	0.0198
3	C2     3.0694    -8.0375    -3.1945	C.2	1	noname	0.0182
4	C3     3.2124    -6.3484    -1.4374	C.2	1	noname	-0.0127
5	Cl2     2.5424    -9.5155    -3.8434	Cl	1	noname	-0.0732
6	C4     3.8874    -7.2304    -4.0094	C.2	1	noname	-0.0176
7	C5     4.0374    -5.5463    -2.2504	C.2	1	noname	-0.0395
8	C6     4.3664    -5.9963    -3.5424	C.2	1	noname	-0.0432
9	C7     4.5424    -4.2462    -1.7573	C.3	1	noname	0.0468
10	C8     5.4604    -4.4021    -0.6183	C.2	1	noname	0.1312
11	O1     5.1273    -3.8911     0.4737	O.2	1	noname	-0.2746
12	N1     6.6194    -5.0871    -0.8082	N.3	1	noname	-0.1343
13	C9     7.6134    -5.3711     0.0818	C.2	1	noname	0.0142
14	C10     8.6954    -6.1181    -0.4261	C.2	1	noname	-0.0089
15	C11     7.6414    -4.9870     1.4429	C.2	1	noname	-0.0089
16	C12     9.7774    -6.4750     0.3969	C.2	1	noname	0.0303
17	C13     8.7224    -5.3420     2.2669	C.2	1	noname	0.0303
18	C14     9.7954    -6.0870     1.7480	C.2	1	noname	0.0244
19	S1    11.1214    -6.5280     2.7781	S	1	noname	-0.0474
20	O2    11.4564    -5.2749     3.6971	O.2	1	noname	-0.1688
21	O3    12.1954    -7.3800     1.9731	O.2	1	noname	-0.1688
22	O4    10.4413    -7.6129     3.8772	O.3	1	noname	-0.1487
23	H1     2.9694    -6.0163    -0.5013	H	1	noname	0.0641
24	H2     4.1433    -7.5344    -4.9504	H	1	noname	0.0638
25	H3     4.9573    -5.4272    -4.1484	H	1	noname	0.0626
26	H4     5.0764    -3.7161    -2.5483	H	1	noname	0.0411
27	H5     3.6924    -3.6312    -1.4573	H	1	noname	0.0411
28	H6     6.7524    -5.4271    -1.7062	H	1	noname	0.1371
29	H7     8.6994    -6.4090    -1.4041	H	1	noname	0.0639
30	H8     6.8803    -4.4479     1.8519	H	1	noname	0.0639
31	H9    10.5514    -7.0170     0.0119	H	1	noname	0.0640
32	H10     8.7293    -5.0589     3.2470	H	1	noname	0.0640
33	H11    10.9393    -7.6819     4.7162	H	1	noname	0.2388
@<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	6	8	2
9	6	24	1
10	7	9	1
11	7	8	1
12	8	25	1
13	9	10	1
14	9	26	1
15	9	27	1
16	10	11	2
17	10	12	1
18	12	13	1
19	12	28	1
20	13	14	2
21	13	15	1
22	14	16	1
23	14	29	1
24	15	17	2
25	15	30	1
26	16	18	2
27	16	31	1
28	17	18	1
29	17	32	1
30	18	19	1
31	19	20	2
32	19	21	2
33	19	22	1
34	22	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1