@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4013
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.8300    -2.4928    -3.3841	S.2	1	noname	-0.1173
2	C1    -3.7210    -1.3098    -2.1261	C.2	1	noname	0.0672
3	N1    -4.1390    -1.5347    -0.8691	N.3	1	noname	-0.1749
4	C2    -3.1671     0.0481    -2.3061	C.3	1	noname	0.0395
5	C3    -3.9121    -0.4497    -0.1301	C.2	1	noname	-0.0165
6	C4    -3.3261     0.5301    -0.9281	C.2	1	noname	-0.0291
7	C5    -3.9581     0.9031    -3.3240	C.3	1	noname	0.0340
8	C6    -4.1671    -0.2297     1.2328	C.2	1	noname	-0.0379
9	C7    -2.9641     1.7741    -0.3811	C.2	1	noname	-0.0477
10	C8    -3.7011     0.4861    -4.7079	C.2	1	noname	0.0389
11	C9    -3.8122     1.0162     1.7868	C.2	1	noname	-0.0547
12	C10    -3.2132     2.0121     0.9848	C.2	1	noname	-0.0631
13	O1    -2.5502     0.6112    -5.1809	O.2	1	noname	-0.2963
14	N2    -4.6991    -0.0357    -5.4498	N.3	1	noname	-0.0770
15	C11    -4.5101    -0.4756    -6.7867	C.3	1	noname	0.0278
16	C12    -5.7581    -1.0646    -7.3057	C.2	1	noname	-0.0486
17	C13    -6.4401    -0.4755    -8.3906	C.2	1	noname	-0.0531
18	C14    -6.2821    -2.2345    -6.7186	C.2	1	noname	-0.0531
19	C15    -7.6282    -1.0455    -8.8785	C.2	1	noname	-0.0594
20	C16    -7.4702    -2.8054    -7.2056	C.2	1	noname	-0.0594
21	C17    -8.1432    -2.2114    -8.2865	C.2	1	noname	-0.0613
22	H1    -4.5300    -2.3617    -0.5501	H	1	noname	0.1347
23	H2    -2.1082     0.0011    -2.5680	H	1	noname	0.0427
24	H3    -3.6561     1.9481    -3.2330	H	1	noname	0.0371
25	H4    -5.0271     0.8362    -3.1120	H	1	noname	0.0371
26	H5    -4.5961    -0.9536     1.8088	H	1	noname	0.0639
27	H6    -2.5302     2.4911    -0.9630	H	1	noname	0.0626
28	H7    -3.9872     1.1993     2.7758	H	1	noname	0.0623
29	H8    -2.9582     2.9091     1.3979	H	1	noname	0.0622
30	H9    -5.5751    -0.1317    -5.0458	H	1	noname	0.1313
31	H10    -4.2002     0.3733    -7.4007	H	1	noname	0.0483
32	H11    -3.7222    -1.2306    -6.8197	H	1	noname	0.0483
33	H12    -6.0732     0.3713    -8.8265	H	1	noname	0.0626
34	H13    -5.7982    -2.6724    -5.9336	H	1	noname	0.0626
35	H14    -8.1172    -0.6134    -9.6625	H	1	noname	0.0622
36	H15    -7.8432    -3.6523    -6.7755	H	1	noname	0.0622
37	H16    -9.0052    -2.6263    -8.6415	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	22	1
6	4	6	1
7	4	7	1
8	4	23	1
9	5	8	1
10	5	6	2
11	6	9	1
12	7	10	1
13	7	24	1
14	7	25	1
15	8	11	2
16	8	26	1
17	9	12	2
18	9	27	1
19	10	13	2
20	10	14	1
21	11	12	1
22	11	28	1
23	12	29	1
24	14	15	1
25	14	30	1
26	15	16	1
27	15	31	1
28	15	32	1
29	16	17	2
30	16	18	1
31	17	19	1
32	17	33	1
33	18	20	2
34	18	34	1
35	19	21	2
36	19	35	1
37	20	21	1
38	20	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1