@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443663
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    14.1139    -3.1243    -0.6069	O.2	1	noname	-0.2745
2	C1    15.2058    -3.7063    -0.7839	C.2	1	noname	0.1313
3	N1    15.5458    -4.3212    -1.9299	N.3	1	noname	-0.1345
4	C2    16.2628    -3.7972     0.2320	C.3	1	noname	0.0483
5	C3    16.7658    -4.8452    -1.8018	C.2	1	noname	0.0072
6	C4    17.2497    -4.5652    -0.5268	C.2	1	noname	-0.0113
7	C5    17.5297    -5.5721    -2.7258	C.2	1	noname	-0.0198
8	C6    18.5217    -5.0051    -0.1288	C.2	1	noname	0.0013
9	C7    18.8077    -6.0171    -2.3357	C.2	1	noname	-0.0051
10	C8    19.3157    -5.7411    -1.0417	C.2	1	noname	-0.0132
11	C9    20.5976    -6.1930    -0.6707	C.2	1	noname	0.1109
12	O2    21.4365    -6.8980    -1.4607	O.3	1	noname	-0.3247
13	N2    21.1866    -5.9930     0.5212	N.2	1	noname	-0.1305
14	C10    22.5285    -7.1039    -0.6996	C.2	1	noname	0.1514
15	N3    22.3555    -6.5439     0.5053	N.2	1	noname	-0.1372
16	N4    23.6355    -7.7689    -1.0746	N.3	1	noname	-0.0431
17	C11    23.7704    -8.3479    -2.3645	C.3	1	noname	0.0285
18	C12    25.0904    -8.9908    -2.4975	C.2	1	noname	-0.0486
19	C13    26.2644    -8.2118    -2.4384	C.2	1	noname	-0.0531
20	C14    25.1983   -10.3838    -2.6894	C.2	1	noname	-0.0531
21	C15    27.5273    -8.8158    -2.5634	C.2	1	noname	-0.0594
22	C16    26.4613   -10.9887    -2.8154	C.2	1	noname	-0.0594
23	C17    27.6253   -10.2047    -2.7513	C.2	1	noname	-0.0613
24	H1    14.9898    -4.3751    -2.7218	H	1	noname	0.1371
25	H2    15.9197    -4.3412     1.1121	H	1	noname	0.0411
26	H3    16.6408    -2.8092     0.4991	H	1	noname	0.0411
27	H4    17.1687    -5.7741    -3.6587	H	1	noname	0.0639
28	H5    18.8586    -4.7911     0.8111	H	1	noname	0.0634
29	H6    19.3686    -6.5470    -3.0057	H	1	noname	0.0631
30	H7    24.3644    -7.8549    -0.4395	H	1	noname	0.1321
31	H8    23.6724    -7.5739    -3.1284	H	1	noname	0.0483
32	H9    22.9714    -9.0799    -2.5095	H	1	noname	0.0483
33	H10    26.2004    -7.2018    -2.3034	H	1	noname	0.0626
34	H11    24.3583   -10.9608    -2.7364	H	1	noname	0.0626
35	H12    28.3723    -8.2457    -2.5183	H	1	noname	0.0622
36	H13    26.5322   -11.9967    -2.9513	H	1	noname	0.0622
37	H14    28.5422   -10.6437    -2.8423	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	24	1
6	4	6	1
7	4	25	1
8	4	26	1
9	5	7	1
10	5	6	2
11	6	8	1
12	7	9	2
13	7	27	1
14	8	10	2
15	8	28	1
16	9	10	1
17	9	29	1
18	10	11	1
19	11	12	1
20	11	13	2
21	12	14	1
22	13	15	1
23	14	16	1
24	14	15	2
25	16	17	1
26	16	30	1
27	17	18	1
28	17	31	1
29	17	32	1
30	18	19	2
31	18	20	1
32	19	21	1
33	19	33	1
34	20	22	2
35	20	34	1
36	21	23	2
37	21	35	1
38	22	23	1
39	22	36	1
40	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1