@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443942
34 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    15.1485    -9.5030     5.3483	O.3	1	noname	-0.1976
2	C1    13.8215    -9.4579     5.6804	C.2	1	noname	0.0348
3	C2    16.0675    -9.7369     6.2984	C.2	1	noname	0.0173
4	C3    13.4485    -9.6629     7.0265	C.2	1	noname	0.0128
5	C4    12.8385    -9.2149     4.7064	C.2	1	noname	-0.0098
6	C5    15.7125    -9.9319     7.5765	C.2	1	noname	0.0170
7	O2    14.4255    -9.8998     7.9555	O.3	1	noname	-0.2018
8	C6    12.0934    -9.6218     7.3935	C.2	1	noname	-0.0150
9	C7    11.4794    -9.1679     5.0745	C.2	1	noname	-0.0268
10	C8    11.1103    -9.3758     6.4186	C.2	1	noname	-0.0517
11	N1    10.5304    -8.9398     4.1405	N.3	1	noname	0.0169
12	C9    10.0883    -7.7048     3.8045	C.2	1	noname	0.0951
13	N2    10.5713    -6.5667     4.3786	N.2	1	noname	-0.2068
14	C10     9.0903    -7.5697     2.8306	C.2	1	noname	0.0593
15	C11    10.1263    -5.3257     4.0446	C.2	1	noname	0.0652
16	O3     8.4332    -8.5097     2.1046	O.3	1	noname	-0.3618
17	C12     8.6532    -6.2877     2.5096	C.2	1	noname	0.1151
18	N3     9.1582    -5.1826     3.1027	N.2	1	noname	-0.2097
19	C13     7.5711    -7.8206     1.3146	C.2	1	noname	0.0982
20	C14     7.6791    -6.4477     1.5376	C.2	1	noname	0.1034
21	C15     6.6491    -8.2926     0.3687	C.2	1	noname	0.0220
22	N4     6.9151    -5.5536     0.8647	N.2	1	noname	-0.2134
23	C16     5.8580    -7.3585    -0.3272	C.2	1	noname	-0.0070
24	C17     6.0110    -5.9816    -0.0592	C.2	1	noname	0.0088
25	H1    17.0245    -9.7649     6.0484	H	1	noname	0.0922
26	H2    13.1124    -9.0688     3.7345	H	1	noname	0.0668
27	H3    16.4125   -10.1039     8.2565	H	1	noname	0.0922
28	H4    11.8224    -9.7698     8.3666	H	1	noname	0.0651
29	H5    10.1263    -9.3448     6.6886	H	1	noname	0.0640
30	H6    10.1403    -9.7048     3.6885	H	1	noname	0.1358
31	H7    10.5182    -4.5026     4.5017	H	1	noname	0.1062
32	H8     6.5540    -9.2925     0.1897	H	1	noname	0.0651
33	H9     5.1800    -7.6745    -1.0202	H	1	noname	0.0639
34	H10     5.4410    -5.2995    -0.5602	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	25	1
7	4	7	1
8	4	8	1
9	5	9	2
10	5	26	1
11	6	7	1
12	6	27	1
13	8	10	2
14	8	28	1
15	9	11	1
16	9	10	1
17	10	29	1
18	11	12	1
19	11	30	1
20	12	13	2
21	12	14	1
22	13	15	1
23	14	16	1
24	14	17	2
25	15	18	2
26	15	31	1
27	16	19	1
28	17	20	1
29	17	18	1
30	19	21	1
31	19	20	2
32	20	22	1
33	21	23	2
34	21	32	1
35	22	24	2
36	23	24	1
37	23	33	1
38	24	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1