@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3674
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.8255     6.4431     1.9994	N.2	1	noname	-0.2177
2	C1    -1.1225     5.2802     1.9955	C.2	1	noname	0.0584
3	C2    -2.9706     6.6102     1.3005	C.2	1	noname	0.0594
4	N2     0.0314     5.1552     2.7086	N.3	1	noname	0.0073
5	C3    -1.6036     4.2001     1.2245	C.2	1	noname	0.0035
6	N3    -3.4486     5.5842     0.5605	N.2	1	noname	-0.2357
7	C4     0.5964     6.1013     3.5026	C.2	1	noname	-0.0335
8	C5    -2.8056     4.3942     0.5015	C.2	1	noname	0.0253
9	C6    -0.9706     2.9461     1.1335	C.2	1	noname	0.0260
10	C7    -0.1446     6.8523     4.4407	C.2	1	noname	-0.0634
11	C8     1.9884     6.2913     3.4197	C.2	1	noname	-0.0668
12	C9    -3.3417     3.3582    -0.2794	C.2	1	noname	0.0099
13	N4    -1.5186     1.9691     0.3696	N.2	1	noname	-0.2562
14	C10     0.4883     7.8024     5.2658	C.2	1	noname	-0.0605
15	C11     2.6284     7.2374     4.2397	C.2	1	noname	-0.0650
16	C12    -2.6697     2.1272    -0.3323	C.2	1	noname	0.0390
17	C13     1.8793     7.9915     5.1578	C.2	1	noname	-0.0879
18	C14    -0.3126     8.5775     6.2259	C.3	1	noname	-0.0017
19	N5    -3.1768     1.1222    -1.0773	N.3	1	noname	-0.1092
20	C15    -2.5548    -0.1487    -1.1783	C.3	1	noname	-0.0101
21	H1    -3.4686     7.5003     1.3315	H	1	noname	0.1062
22	H2     0.5194     4.3232     2.6136	H	1	noname	0.1357
23	H3    -0.1036     2.7582     1.6376	H	1	noname	0.0848
24	H4    -1.1507     6.7034     4.5278	H	1	noname	0.0642
25	H5     2.5414     5.7453     2.7577	H	1	noname	0.0639
26	H6    -4.2088     3.4992    -0.7993	H	1	noname	0.0679
27	H7     3.6374     7.3745     4.1688	H	1	noname	0.0623
28	H8     2.3513     8.6766     5.7499	H	1	noname	0.0625
29	H9     0.3122     9.2696     6.7929	H	1	noname	0.0279
30	H10    -1.0717     9.1486     5.6909	H	1	noname	0.0279
31	H11    -0.8037     7.8985     6.9240	H	1	noname	0.0279
32	H12    -4.0018     1.2743    -1.5633	H	1	noname	0.1292
33	H13    -3.1498    -0.7867    -1.8312	H	1	noname	0.0396
34	H14    -1.5538    -0.0427    -1.5992	H	1	noname	0.0396
35	H15    -2.4868    -0.6117    -0.1932	H	1	noname	0.0396
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	21	1
7	4	7	1
8	4	22	1
9	5	8	1
10	5	9	2
11	6	8	1
12	7	10	2
13	7	11	1
14	8	12	2
15	9	13	1
16	9	23	1
17	10	14	1
18	10	24	1
19	11	15	2
20	11	25	1
21	12	16	1
22	12	26	1
23	13	16	2
24	14	17	2
25	14	18	1
26	15	17	1
27	15	27	1
28	16	19	1
29	17	28	1
30	18	29	1
31	18	30	1
32	18	31	1
33	19	20	1
34	19	32	1
35	20	33	1
36	20	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1