@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3967
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.5719     0.7177    -4.3118	S.2	1	noname	-0.1161
2	C1    -5.3619     0.8818    -2.6018	C.2	1	noname	0.0702
3	N1    -5.0880    -0.1560    -1.7787	N.3	1	noname	-0.1685
4	C2    -5.4150     2.1759    -1.8937	C.3	1	noname	0.0315
5	C3    -4.9170     0.3199    -0.5347	C.2	1	noname	-0.0153
6	C4    -4.9750    -1.5220    -2.1637	C.3	1	noname	-0.0029
7	C5    -5.0870     1.7029    -0.5446	C.2	1	noname	-0.0280
8	C6    -6.8000     2.8609    -1.9467	C.3	1	noname	-0.0399
9	C7    -4.6001    -0.3609     0.6543	C.2	1	noname	-0.0366
10	C8    -4.9351     2.4550     0.6333	C.2	1	noname	-0.0474
11	C9    -7.0821     3.4910    -3.3226	C.3	1	noname	-0.0430
12	C10    -4.4511     0.3840     1.8404	C.2	1	noname	-0.0543
13	C11    -4.6161     1.7840     1.8304	C.2	1	noname	-0.0625
14	C12    -8.3661     4.3411    -3.3016	C.3	1	noname	0.0337
15	C13    -9.5322     3.5361    -3.0675	C.2	1	noname	0.1390
16	O1   -10.2063     3.7322    -2.0665	O.2	1	noname	-0.2545
17	O2    -9.8492     2.5912    -3.9505	O.3	1	noname	-0.2096
18	C14   -10.9933     1.7692    -3.7224	C.3	1	noname	0.0453
19	H1    -4.6360     2.8460    -2.2606	H	1	noname	0.0422
20	H2    -5.1511    -1.6469    -3.2336	H	1	noname	0.0402
21	H3    -3.9741    -1.8869    -1.9316	H	1	noname	0.0402
22	H4    -5.7081    -2.1180    -1.6186	H	1	noname	0.0402
23	H5    -7.5841     2.1380    -1.7086	H	1	noname	0.0277
24	H6    -6.8281     3.6590    -1.2016	H	1	noname	0.0277
25	H7    -4.4761    -1.3729     0.6584	H	1	noname	0.0639
26	H8    -5.0551     3.4680     0.6224	H	1	noname	0.0626
27	H9    -6.2462     4.1350    -3.5956	H	1	noname	0.0272
28	H10    -7.1842     2.7100    -4.0766	H	1	noname	0.0272
29	H11    -4.2202    -0.0928     2.7124	H	1	noname	0.0623
30	H12    -4.5042     2.3151     2.6945	H	1	noname	0.0622
31	H13    -8.2772     5.1031    -2.5255	H	1	noname	0.0372
32	H14    -8.4762     4.8371    -4.2655	H	1	noname	0.0372
33	H15   -11.0913     1.0583    -4.5434	H	1	noname	0.0536
34	H16   -10.8783     1.2193    -2.7874	H	1	noname	0.0536
35	H17   -11.8924     2.3853    -3.6744	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	4	19	1
9	5	9	1
10	5	7	2
11	6	20	1
12	6	21	1
13	6	22	1
14	7	10	1
15	8	11	1
16	8	23	1
17	8	24	1
18	9	12	2
19	9	25	1
20	10	13	2
21	10	26	1
22	11	14	1
23	11	27	1
24	11	28	1
25	12	13	1
26	12	29	1
27	13	30	1
28	14	15	1
29	14	31	1
30	14	32	1
31	15	16	2
32	15	17	1
33	17	18	1
34	18	33	1
35	18	34	1
36	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1