@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3281
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.7067    -1.0358     3.2828	O.2	1	noname	-0.1444
2	N1    -4.7857    -1.6517     2.8129	N.2	1	noname	-0.0121
3	O2    -4.7988    -2.8446     2.9879	O.3	1	noname	-0.1444
4	C1    -3.7808    -1.0327     2.1199	C.2	1	noname	0.0533
5	C2    -2.7129    -1.7766     1.5700	C.2	1	noname	0.0649
6	C3    -3.7829     0.3682     1.9360	C.2	1	noname	0.0256
7	C4    -1.6780    -1.1446     0.8591	C.2	1	noname	0.0559
8	C5    -2.7550     1.0102     1.2261	C.2	1	noname	0.0027
9	N2    -0.6691    -1.8865     0.3452	N.2	1	noname	-0.2279
10	C6    -1.6931     0.2592     0.6831	C.2	1	noname	0.0118
11	C7     0.3467    -1.3195    -0.3436	C.2	1	noname	0.0539
12	C8    -0.6212     0.8252    -0.0377	C.2	1	noname	0.0493
13	N3     0.3566     0.0214    -0.5246	N.2	1	noname	-0.2191
14	N4    -0.5502     2.1602    -0.2536	N.3	1	noname	-0.1003
15	C9     0.5096     2.7742    -0.9736	C.3	1	noname	0.0265
16	C10     0.2875     4.2292    -1.0595	C.2	1	noname	-0.0486
17	C11    -0.8374     4.7322    -1.7455	C.2	1	noname	-0.0531
18	C12     1.1924     5.1352    -0.4685	C.2	1	noname	-0.0531
19	C13    -1.0564     6.1172    -1.8364	C.2	1	noname	-0.0594
20	C14     0.9754     6.5212    -0.5605	C.2	1	noname	-0.0594
21	C15    -0.1495     7.0123    -1.2444	C.2	1	noname	-0.0613
22	H1    -2.6890    -2.7906     1.6890	H	1	noname	0.0670
23	H2    -4.5419     0.9302     2.3230	H	1	noname	0.0647
24	H3    -2.7880     2.0242     1.1111	H	1	noname	0.0631
25	H4     1.0976    -1.8954    -0.7236	H	1	noname	0.1062
26	H5    -1.2542     2.7253     0.0983	H	1	noname	0.1300
27	H6     0.5575     2.3623    -1.9835	H	1	noname	0.0482
28	H7     1.4545     2.5603    -0.4676	H	1	noname	0.0482
29	H8    -1.4994     4.0873    -2.1794	H	1	noname	0.0626
30	H9     2.0124     4.7873     0.0304	H	1	noname	0.0626
31	H10    -1.8734     6.4733    -2.3343	H	1	noname	0.0622
32	H11     1.6343     7.1702    -0.1305	H	1	noname	0.0622
33	H12    -0.3065     8.0182    -1.3113	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	22	1
8	6	8	2
9	6	23	1
10	7	9	2
11	7	10	1
12	8	10	1
13	8	24	1
14	9	11	1
15	10	12	2
16	11	13	2
17	11	25	1
18	12	14	1
19	12	13	1
20	14	15	1
21	14	26	1
22	15	16	1
23	15	27	1
24	15	28	1
25	16	17	2
26	16	18	1
27	17	19	1
28	17	29	1
29	18	20	2
30	18	30	1
31	19	21	2
32	19	31	1
33	20	21	1
34	20	32	1
35	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1