@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441089
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    10.1475    -6.5832    -0.9509	O.2	1	noname	-0.2746
2	C1     9.9664    -5.7352    -0.0469	C.2	1	noname	0.1399
3	N1     9.5704    -6.0612     1.2060	N.3	1	noname	-0.0865
4	C2    10.1914    -4.3242    -0.3578	C.3	1	noname	0.0099
5	C3     9.3134    -7.3071     1.6631	C.2	1	noname	0.1015
6	N2     9.4273    -8.4240     0.9031	N.2	1	noname	-0.1829
7	N3     8.9143    -7.4440     2.9481	N.2	1	noname	-0.1973
8	C4     9.1553    -9.6710     1.3622	C.2	1	noname	0.0435
9	C5     8.6273    -8.6549     3.4811	C.2	1	noname	0.0257
10	C6     9.3122   -10.7649     0.4772	C.2	1	noname	0.0766
11	C7     8.7382    -9.8109     2.6992	C.2	1	noname	0.0171
12	C8     9.1252   -10.7858    -0.9116	C.2	1	noname	0.0947
13	C9     9.8152   -12.0308     0.7813	C.2	1	noname	0.1062
14	N4     9.5211   -11.9928    -1.3565	N.2	1	noname	-0.1642
15	C10     8.6031    -9.7968    -1.7825	C.2	1	noname	-0.0268
16	O2     9.9291   -12.7327    -0.3655	O.3	1	noname	-0.3375
17	C11    10.2411   -12.5577     2.0813	C.3	1	noname	0.0639
18	C12     9.0781    -9.7198    -3.1125	C.2	1	noname	-0.0265
19	C13     7.5831    -8.9028    -1.3835	C.2	1	noname	-0.0265
20	C14     8.5761    -8.7568    -4.0034	C.2	1	noname	-0.0512
21	C15     7.0821    -7.9368    -2.2714	C.2	1	noname	-0.0512
22	C16     7.5811    -7.8608    -3.5813	C.2	1	noname	-0.0447
23	H1     9.4564    -5.3341     1.8351	H	1	noname	0.1402
24	H2    10.5084    -4.2142    -1.3958	H	1	noname	0.0324
25	H3     9.2674    -3.7662    -0.2048	H	1	noname	0.0324
26	H4    10.9673    -3.9261     0.2971	H	1	noname	0.0324
27	H5     8.3253    -8.7229     4.4531	H	1	noname	0.0841
28	H6     8.5012   -10.7188     3.0962	H	1	noname	0.0661
29	H7     9.3791   -12.6767     2.7363	H	1	noname	0.0301
30	H8    10.9620   -11.8797     2.5383	H	1	noname	0.0301
31	H9    10.7091   -13.5317     1.9403	H	1	noname	0.0301
32	H10     9.8030   -10.3608    -3.4384	H	1	noname	0.0629
33	H11     7.1911    -8.9497    -0.4425	H	1	noname	0.0629
34	H12     8.9350    -8.7077    -4.9573	H	1	noname	0.0622
35	H13     6.3521    -7.2928    -1.9654	H	1	noname	0.0622
36	H14     7.2180    -7.1588    -4.2273	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	23	1
6	4	24	1
7	4	25	1
8	4	26	1
9	5	6	2
10	5	7	1
11	6	8	1
12	7	9	2
13	8	10	1
14	8	11	2
15	9	11	1
16	9	27	1
17	10	12	1
18	10	13	2
19	11	28	1
20	12	14	2
21	12	15	1
22	13	16	1
23	13	17	1
24	14	16	1
25	15	18	2
26	15	19	1
27	17	29	1
28	17	30	1
29	17	31	1
30	18	20	1
31	18	32	1
32	19	21	2
33	19	33	1
34	20	22	2
35	20	34	1
36	21	22	1
37	21	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1