@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439714
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    10.2240    -3.5480     1.5955	S.3	1	noname	-0.1498
2	C1    10.4090    -2.0300     0.7686	C.2	1	noname	0.1124
3	C2     9.6400    -2.6270     2.9355	C.2	1	noname	0.0466
4	N1    10.0549    -0.9379     1.4676	N.2	1	noname	-0.1910
5	N2    10.8699    -1.8960    -0.4922	N.3	1	noname	-0.0936
6	C3     9.6190    -1.2570     2.6906	C.2	1	noname	0.0347
7	C4     9.2100    -3.1420     4.1685	C.2	1	noname	0.0012
8	C5    11.2548    -2.9109    -1.2971	C.2	1	noname	0.1372
9	C6     9.1699    -0.3640     3.6736	C.2	1	noname	-0.0043
10	C7     8.7469    -2.2679     5.1856	C.2	1	noname	-0.0246
11	O1    11.2198    -4.1108    -0.9421	O.2	1	noname	-0.2752
12	C8    11.7358    -2.6088    -2.6461	C.3	1	noname	0.0099
13	C9     8.7379    -0.8739     4.9127	C.2	1	noname	-0.0294
14	C10     8.3029    -2.7749     6.4446	C.2	1	noname	-0.0451
15	C11     7.2649    -2.1498     7.1716	C.2	1	noname	-0.0057
16	C12     8.8748    -3.9288     7.0286	C.2	1	noname	-0.0388
17	N3     6.8558    -2.6488     8.3637	N.2	1	noname	-0.2682
18	C13     8.4388    -4.4338     8.2686	C.2	1	noname	-0.0327
19	C14     7.3987    -3.7507     8.9287	C.2	1	noname	0.0145
20	C15     9.0847    -5.6397     8.8157	C.3	1	noname	0.0098
21	N4     6.9107    -4.1506    10.1127	N.3	1	noname	-0.1203
22	H1    10.9299    -0.9959    -0.8481	H	1	noname	0.1394
23	H2     9.2259    -4.1529     4.3106	H	1	noname	0.0644
24	H3     9.1579     0.6400     3.4947	H	1	noname	0.0646
25	H4    11.0988    -3.1078    -3.3760	H	1	noname	0.0324
26	H5    12.7587    -2.9718    -2.7530	H	1	noname	0.0324
27	H6    11.7157    -1.5338    -2.8260	H	1	noname	0.0324
28	H7     8.4238    -0.2109     5.6227	H	1	noname	0.0629
29	H8     6.7968    -1.3198     6.8067	H	1	noname	0.0846
30	H9     9.6368    -4.4137     6.5527	H	1	noname	0.0633
31	H10     8.6597    -5.9256     9.7777	H	1	noname	0.0281
32	H11     8.9557    -6.4686     8.1187	H	1	noname	0.0281
33	H12    10.1517    -5.4526     8.9507	H	1	noname	0.0281
34	H13     6.1927    -3.6496    10.5277	H	1	noname	0.1258
35	H14     7.2726    -4.9345    10.5517	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	6	1
8	5	8	1
9	5	22	1
10	6	9	1
11	7	10	2
12	7	23	1
13	8	11	2
14	8	12	1
15	9	13	2
16	9	24	1
17	10	14	1
18	10	13	1
19	12	25	1
20	12	26	1
21	12	27	1
22	13	28	1
23	14	15	2
24	14	16	1
25	15	17	1
26	15	29	1
27	16	18	2
28	16	30	1
29	17	19	2
30	18	20	1
31	18	19	1
32	19	21	1
33	20	31	1
34	20	32	1
35	20	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1