@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3276
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.2618    -0.0872    -0.5236	N.2	1	noname	-0.2657
2	C1    -0.6991     0.7587    -0.0736	C.2	1	noname	0.0459
3	C2     0.2457    -1.4121    -0.2696	C.2	1	noname	0.0475
4	N2    -0.5632     2.0656    -0.3996	N.3	1	noname	-0.0989
5	C3    -1.7771     0.2578     0.6983	C.2	1	noname	-0.0348
6	N3    -0.7641    -1.9260     0.4603	N.2	1	noname	-0.2745
7	C4     0.5146     2.5737    -1.1765	C.3	1	noname	0.0265
8	C5    -1.7581    -1.1430     0.9423	C.2	1	noname	0.0606
9	C6    -2.8500     1.0218     1.2323	C.2	1	noname	0.0035
10	C7     0.3536     4.0256    -1.3734	C.2	1	noname	-0.0486
11	C8    -2.7731    -1.7589     1.6943	C.2	1	noname	-0.0277
12	N4    -2.9941     2.3517     1.0793	N.3	1	noname	-0.1467
13	C9    -3.8600     0.3888     1.9843	C.2	1	noname	-0.0495
14	C10     1.3035     4.9346    -0.8644	C.2	1	noname	-0.0531
15	C11    -0.7603     4.5216    -2.0823	C.2	1	noname	-0.0531
16	C12    -3.8241    -0.9929     2.2143	C.2	1	noname	-0.0349
17	C13     1.1404     6.3165    -1.0573	C.2	1	noname	-0.0594
18	C14    -0.9243     5.9035    -2.2753	C.2	1	noname	-0.0594
19	C15     0.0265     6.8015    -1.7612	C.2	1	noname	-0.0613
20	H1     0.9866    -2.0160    -0.6256	H	1	noname	0.1062
21	H2    -1.2252     2.6937    -0.0976	H	1	noname	0.1300
22	H3     0.5296     2.0817    -2.1514	H	1	noname	0.0482
23	H4     1.4555     2.3577    -0.6645	H	1	noname	0.0482
24	H5    -2.7481    -2.7658     1.8633	H	1	noname	0.0645
25	H6    -3.7581     2.7967     1.4794	H	1	noname	0.1243
26	H7    -2.3572     2.8757     0.5834	H	1	noname	0.1243
27	H8    -4.6310     0.9369     2.3683	H	1	noname	0.0639
28	H9     2.1153     4.5906    -0.3494	H	1	noname	0.0626
29	H10    -1.4542     3.8747    -2.4583	H	1	noname	0.0626
30	H11    -4.5611    -1.4398     2.7603	H	1	noname	0.0623
31	H12     1.8323     6.9685    -0.6853	H	1	noname	0.0622
32	H13    -1.7333     6.2546    -2.7882	H	1	noname	0.0622
33	H14    -0.0924     7.8055    -1.9022	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	20	1
7	4	7	1
8	4	21	1
9	5	8	1
10	5	9	2
11	6	8	1
12	7	10	1
13	7	22	1
14	7	23	1
15	8	11	2
16	9	12	1
17	9	13	1
18	10	14	2
19	10	15	1
20	11	16	1
21	11	24	1
22	12	25	1
23	12	26	1
24	13	16	2
25	13	27	1
26	14	17	1
27	14	28	1
28	15	18	2
29	15	29	1
30	16	30	1
31	17	19	2
32	17	31	1
33	18	19	1
34	18	32	1
35	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1