@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445244
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0590    -9.8120     1.7472	O.3	1	noname	-0.2828
2	C1     3.5389    -9.7989     0.4802	C.2	1	noname	0.0090
3	C2     3.7369   -10.9979    -0.2537	C.2	1	noname	-0.0135
4	C3     3.8109    -8.5479    -0.1026	C.2	1	noname	-0.0293
5	C4     3.4739   -12.2808     0.3073	C.2	1	noname	-0.0345
6	C5     4.2099   -10.8918    -1.5846	C.2	1	noname	-0.0408
7	C6     4.2809    -8.4679    -1.4216	C.2	1	noname	-0.0539
8	C7     2.8258   -13.2928    -0.4466	C.2	1	noname	0.0105
9	C8     3.8658   -12.6008     1.6313	C.2	1	noname	-0.0128
10	C9     4.4808    -9.6408    -2.1625	C.2	1	noname	-0.0701
11	N1     2.5908   -14.5247     0.0784	N.2	1	noname	-0.2502
12	C10     3.5888   -13.8747     2.1564	C.2	1	noname	-0.0015
13	C11     2.9627   -14.8157     1.3454	C.2	1	noname	0.0659
14	C12     3.8448   -14.4807     3.3914	C.2	1	noname	-0.0149
15	N2     2.8377   -15.9596     2.0264	N.3	1	noname	-0.0435
16	C13     4.4458   -13.9376     4.5584	C.2	1	noname	-0.0389
17	C14     3.3647   -15.7886     3.2494	C.2	1	noname	-0.1071
18	C15     4.2917   -12.5736     4.9015	C.2	1	noname	-0.0433
19	C16     5.1997   -14.7616     5.4275	C.2	1	noname	-0.0433
20	C17     4.8846   -12.0476     6.0625	C.2	1	noname	-0.0563
21	C18     5.7926   -14.2376     6.5885	C.2	1	noname	-0.0563
22	C19     5.6376   -12.8795     6.9055	C.2	1	noname	-0.0567
23	H1     2.9459    -8.9259     2.1512	H	1	noname	0.2182
24	H2     3.6619    -7.6919     0.4323	H	1	noname	0.0650
25	H3     4.3749   -11.7308    -2.1426	H	1	noname	0.0630
26	H4     4.4758    -7.5578    -1.8416	H	1	noname	0.0623
27	H5     2.5218   -13.1077    -1.4035	H	1	noname	0.0846
28	H6     4.3638   -11.9147     2.1974	H	1	noname	0.0637
29	H7     4.8248    -9.5868    -3.1215	H	1	noname	0.0622
30	H8     2.4367   -16.7756     1.6895	H	1	noname	0.1537
31	H9     3.3917   -16.5096     3.9725	H	1	noname	0.0796
32	H10     3.7276   -11.9526     4.3215	H	1	noname	0.0629
33	H11     5.3327   -15.7515     5.2165	H	1	noname	0.0629
34	H12     4.7626   -11.0616     6.2945	H	1	noname	0.0622
35	H13     6.3366   -14.8455     7.2015	H	1	noname	0.0622
36	H14     6.0665   -12.4985     7.7496	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	23	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	6	1
7	4	7	2
8	4	24	1
9	5	8	2
10	5	9	1
11	6	10	2
12	6	25	1
13	7	10	1
14	7	26	1
15	8	11	1
16	8	27	1
17	9	12	2
18	9	28	1
19	10	29	1
20	11	13	2
21	12	14	1
22	12	13	1
23	13	15	1
24	14	16	1
25	14	17	2
26	15	17	1
27	15	30	1
28	16	18	2
29	16	19	1
30	17	31	1
31	18	20	1
32	18	32	1
33	19	21	2
34	19	33	1
35	20	22	2
36	20	34	1
37	21	22	1
38	21	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1