@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3728
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.1324     1.2195     2.4401	N.2	1	noname	-0.2180
2	C1     0.2284     2.1045     1.9432	C.2	1	noname	0.0600
3	C2     0.9633    -0.1203     2.3602	C.2	1	noname	0.0598
4	N2     0.4453     3.4425     2.0543	N.3	1	noname	0.0068
5	C3    -0.9375     1.6166     1.3143	C.2	1	noname	0.0186
6	N3    -0.1466    -0.6112     1.7643	N.2	1	noname	-0.2370
7	C4     1.5312     3.9905     2.6423	C.2	1	noname	-0.0335
8	C5    -1.0886     0.2117     1.2473	C.2	1	noname	0.0108
9	C6    -1.9355     2.4486     0.7643	C.2	1	noname	-0.0001
10	C7     2.6981     4.2356     1.8924	C.2	1	noname	-0.0634
11	C8     1.4912     4.3436     4.0043	C.2	1	noname	-0.0668
12	C9    -2.2336    -0.3181     0.6334	C.2	1	noname	0.0392
13	C10    -3.0735     1.8777     0.1534	C.2	1	noname	0.0356
14	C11     3.8281     4.8196     2.4984	C.2	1	noname	-0.0605
15	C12     2.6151     4.9256     4.6143	C.2	1	noname	-0.0650
16	N4    -3.1646     0.5218     0.1195	N.2	1	noname	-0.2499
17	N5    -4.0785     2.6277    -0.4024	N.3	1	noname	-0.1024
18	C13     3.7790     5.1626     3.8644	C.2	1	noname	-0.0880
19	C14     5.0380     5.0636     1.6985	C.3	1	noname	-0.0017
20	C15    -5.1975     1.9687    -1.0004	C.3	1	noname	-0.0073
21	C16    -4.0436     4.0587    -0.4034	C.3	1	noname	-0.0073
22	H1     1.6652    -0.7522     2.7452	H	1	noname	0.1062
23	H2    -0.2226     4.0455     1.6953	H	1	noname	0.1357
24	H3    -1.8356     3.4627     0.8074	H	1	noname	0.0664
25	H4     2.7251     3.9846     0.9035	H	1	noname	0.0642
26	H5     0.6482     4.1726     4.5533	H	1	noname	0.0639
27	H6    -2.3676    -1.3281     0.5735	H	1	noname	0.0863
28	H7     2.5850     5.1776     5.6033	H	1	noname	0.0623
29	H8     4.5909     5.5856     4.3154	H	1	noname	0.0625
30	H9     5.8249     5.5187     2.3025	H	1	noname	0.0279
31	H10     5.4069     4.1187     1.2975	H	1	noname	0.0279
32	H11     4.8010     5.7336     0.8705	H	1	noname	0.0279
33	H12    -5.9166     2.6817    -1.4043	H	1	noname	0.0398
34	H13    -4.8556     1.3288    -1.8163	H	1	noname	0.0398
35	H14    -5.7056     1.3548    -0.2554	H	1	noname	0.0398
36	H15    -4.9246     4.4797    -0.8874	H	1	noname	0.0398
37	H16    -4.0106     4.4287     0.6225	H	1	noname	0.0398
38	H17    -3.1607     4.4067    -0.9403	H	1	noname	0.0398
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	22	1
7	4	7	1
8	4	23	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	24	1
17	10	14	1
18	10	25	1
19	11	15	2
20	11	26	1
21	12	16	1
22	12	27	1
23	13	17	1
24	13	16	2
25	14	18	2
26	14	19	1
27	15	18	1
28	15	28	1
29	17	20	1
30	17	21	1
31	18	29	1
32	19	30	1
33	19	31	1
34	19	32	1
35	20	33	1
36	20	34	1
37	20	35	1
38	21	36	1
39	21	37	1
40	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1