@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3279
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.3490     0.0000    -0.4363	N.2	1	noname	-0.2466
2	C1    -0.6270     0.8120     0.0417	C.2	1	noname	0.0222
3	C2     0.3269    -1.3409    -0.2572	C.2	1	noname	0.0263
4	N2    -0.5440     2.1461    -0.1742	N.3	1	noname	-0.1040
5	C3    -1.7111     0.2551     0.7528	C.2	1	noname	-0.0146
6	N3    -0.7000    -1.9009     0.4217	N.2	1	noname	-0.2563
7	C4     0.5269     2.7531    -0.8851	C.3	1	noname	0.0265
8	C5    -1.7081    -1.1518     0.9258	C.2	1	noname	0.0266
9	C6    -2.7731     1.0171     1.2848	C.2	1	noname	-0.0175
10	C7     0.3158     4.2092    -0.9741	C.2	1	noname	-0.0486
11	C8    -2.7561    -1.7768     1.6248	C.2	1	noname	-0.0067
12	C9    -3.8192     0.3861     1.9819	C.2	1	noname	-0.0210
13	C10    -0.7982     4.7202    -1.6721	C.2	1	noname	-0.0531
14	C11     1.2208     5.1083    -0.3731	C.2	1	noname	-0.0531
15	C12    -3.8092    -1.0098     2.1519	C.2	1	noname	-0.0313
16	N4    -4.8273     1.1162     2.4850	N.3	1	noname	-0.1548
17	C13    -1.0062     6.1063    -1.7660	C.2	1	noname	-0.0594
18	C14     1.0137     6.4963    -0.4660	C.2	1	noname	-0.0594
19	C15    -0.0992     6.9954    -1.1630	C.2	1	noname	-0.0613
20	H1     1.0769    -1.9219    -0.6302	H	1	noname	0.1062
21	H2    -1.2481     2.7151     0.1708	H	1	noname	0.1300
22	H3     0.5798     2.3391    -1.8941	H	1	noname	0.0482
23	H4     1.4649     2.5321    -0.3711	H	1	noname	0.0482
24	H5    -2.7892     2.0322     1.1679	H	1	noname	0.0647
25	H6    -2.7552    -2.7898     1.7509	H	1	noname	0.0646
26	H7    -1.4592     4.0803    -2.1140	H	1	noname	0.0626
27	H8     2.0317     4.7553     0.1359	H	1	noname	0.0626
28	H9    -4.5663    -1.4707     2.6579	H	1	noname	0.0639
29	H10    -4.8383     2.0783     2.3650	H	1	noname	0.1242
30	H11    -5.5463     0.6823     2.9700	H	1	noname	0.1242
31	H12    -1.8153     6.4684    -2.2719	H	1	noname	0.0622
32	H13     1.6717     7.1404    -0.0280	H	1	noname	0.0622
33	H14    -0.2503     8.0024    -1.2309	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	24	1
18	10	13	2
19	10	14	1
20	11	15	1
21	11	25	1
22	12	16	1
23	12	15	2
24	13	17	1
25	13	26	1
26	14	18	2
27	14	27	1
28	15	28	1
29	16	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