@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3695
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.1281     1.9096     0.3470	N.2	1	noname	-0.2023
2	C1    -2.2721     1.2276     0.0840	C.2	1	noname	0.0959
3	C2     0.0838     1.2986     0.3680	C.2	1	noname	0.0558
4	N2    -2.1872    -0.1043    -0.1618	N.2	1	noname	-0.2166
5	N3    -3.4752     1.8676     0.0680	N.3	1	noname	-0.0635
6	C3     1.2749     1.9937     0.6410	C.2	1	noname	0.0892
7	C4     0.1838    -0.0833     0.1110	C.2	1	noname	0.0313
8	C5    -1.0072    -0.7723    -0.1568	C.2	1	noname	0.0557
9	C6    -3.5442     3.2707     0.3241	C.3	1	noname	-0.0059
10	C7    -4.6713     1.1367    -0.2058	C.3	1	noname	-0.0059
11	N4     2.4519     1.3137     0.6361	N.2	1	noname	-0.2089
12	N5     1.2048     3.3288     0.8891	N.3	1	noname	0.0149
13	N6     1.3878    -0.7043     0.1251	N.2	1	noname	-0.2296
14	C8     2.5228    -0.0152     0.3851	C.2	1	noname	0.0627
15	C9     2.2398     4.1619     1.1691	C.2	1	noname	-0.0334
16	C10     3.2968     3.8179     2.0402	C.2	1	noname	-0.0629
17	C11     2.2167     5.4490     0.5992	C.2	1	noname	-0.0663
18	C12     4.3298     4.7340     2.3193	C.2	1	noname	-0.0604
19	C13     3.2427     6.3690     0.8712	C.2	1	noname	-0.0649
20	C14     4.2978     6.0110     1.7273	C.2	1	noname	-0.0875
21	C15     5.4218     4.3460     3.2263	C.3	1	noname	-0.0016
22	H1    -0.9892    -1.7743    -0.3478	H	1	noname	0.0864
23	H2    -4.5703     3.6348     0.2731	H	1	noname	0.0399
24	H3    -3.1513     3.4848     1.3192	H	1	noname	0.0399
25	H4    -2.9503     3.8098    -0.4168	H	1	noname	0.0399
26	H5    -5.5474     1.7857    -0.1858	H	1	noname	0.0399
27	H6    -4.6044     0.6777    -1.1938	H	1	noname	0.0399
28	H7    -4.8044     0.3537     0.5422	H	1	noname	0.0399
29	H8     0.3257     3.7328     0.8161	H	1	noname	0.1358
30	H9     3.4248    -0.4922     0.3912	H	1	noname	0.1062
31	H10     3.3117     2.8979     2.4813	H	1	noname	0.0642
32	H11     1.4517     5.7200    -0.0197	H	1	noname	0.0639
33	H12     3.2207     7.2971     0.4493	H	1	noname	0.0623
34	H13     5.0397     6.6851     1.9204	H	1	noname	0.0625
35	H14     6.1418     5.1571     3.3464	H	1	noname	0.0279
36	H15     5.0117     4.0940     4.2054	H	1	noname	0.0279
37	H16     5.9408     3.4760     2.8213	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	2
8	5	9	1
9	5	10	1
10	6	11	1
11	6	12	1
12	7	13	2
13	7	8	1
14	8	22	1
15	9	23	1
16	9	24	1
17	9	25	1
18	10	26	1
19	10	27	1
20	10	28	1
21	11	14	2
22	12	15	1
23	12	29	1
24	13	14	1
25	14	30	1
26	15	16	2
27	15	17	1
28	16	18	1
29	16	31	1
30	17	19	2
31	17	32	1
32	18	20	2
33	18	21	1
34	19	20	1
35	19	33	1
36	20	34	1
37	21	35	1
38	21	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1