@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443664
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.2662    -2.7601    -0.5171	O.2	1	noname	-0.2281
2	C1     6.3692    -3.2801    -0.7911	C.2	1	noname	0.1471
3	O2     7.2613    -3.7181     0.1450	O.3	1	noname	-0.1295
4	N1     6.8132    -3.4711    -2.0441	N.3	1	noname	-0.0961
5	C2     8.2893    -4.1911    -0.6009	C.2	1	noname	0.0465
6	C3     8.0113    -4.0381    -1.9541	C.2	1	noname	0.0421
7	C4     9.4983    -4.7651    -0.1799	C.2	1	noname	0.0367
8	C5     8.9173    -4.4481    -2.9421	C.2	1	noname	-0.0072
9	C6    10.4374    -5.1881    -1.1519	C.2	1	noname	-0.0011
10	C7    10.1344    -5.0251    -2.5281	C.2	1	noname	-0.0068
11	C8    11.6644    -5.7611    -0.7588	C.2	1	noname	0.1111
12	O3    12.6305    -6.1901    -1.5988	O.3	1	noname	-0.3238
13	N2    12.0654    -5.9651     0.5082	N.2	1	noname	-0.1297
14	C9    13.6055    -6.6501    -0.7897	C.2	1	noname	0.1523
15	N3    13.2405    -6.5041     0.4902	N.2	1	noname	-0.1370
16	N4    14.7756    -7.1811    -1.1907	N.3	1	noname	-0.0430
17	C10    15.1146    -7.3161    -2.5628	C.3	1	noname	0.0285
18	C11    16.4516    -7.9211    -2.6987	C.2	1	noname	-0.0486
19	C12    17.5887    -7.2350    -2.2247	C.2	1	noname	-0.0531
20	C13    16.6146    -9.1831    -3.3068	C.2	1	noname	-0.0531
21	C14    18.8687    -7.8040    -2.3516	C.2	1	noname	-0.0594
22	C15    17.8926    -9.7531    -3.4337	C.2	1	noname	-0.0594
23	C16    19.0197    -9.0630    -2.9556	C.2	1	noname	-0.0613
24	H1     6.3452    -3.2361    -2.8591	H	1	noname	0.1397
25	H2     9.6863    -4.8691     0.8192	H	1	noname	0.0658
26	H3     8.7023    -4.3310    -3.9332	H	1	noname	0.0640
27	H4    10.8014    -5.3251    -3.2411	H	1	noname	0.0631
28	H5    15.4036    -7.4811    -0.5156	H	1	noname	0.1321
29	H6    15.1165    -6.3340    -3.0418	H	1	noname	0.0483
30	H7    14.3614    -7.9371    -3.0548	H	1	noname	0.0483
31	H8    17.4866    -6.3189    -1.7856	H	1	noname	0.0626
32	H9    15.8015    -9.6911    -3.6567	H	1	noname	0.0626
33	H10    19.6868    -7.3019    -2.0046	H	1	noname	0.0622
34	H11    18.0026   -10.6672    -3.8727	H	1	noname	0.0622
35	H12    19.9487    -9.4770    -3.0476	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	24	1
7	5	7	1
8	5	6	2
9	6	8	1
10	7	9	2
11	7	25	1
12	8	10	2
13	8	26	1
14	9	11	1
15	9	10	1
16	10	27	1
17	11	12	1
18	11	13	2
19	12	14	1
20	13	15	1
21	14	16	1
22	14	15	2
23	16	17	1
24	16	28	1
25	17	18	1
26	17	29	1
27	17	30	1
28	18	19	2
29	18	20	1
30	19	21	1
31	19	31	1
32	20	22	2
33	20	32	1
34	21	23	2
35	21	33	1
36	22	23	1
37	22	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1