@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3751
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.2288     0.7020     0.0000	N.2	1	noname	-0.2657
2	C1     0.2067     1.4390    -0.5139	C.2	1	noname	0.0452
3	C2     1.6247     0.7961     1.2970	C.2	1	noname	0.0513
4	N2    -0.1572     1.3171    -1.8079	N.3	1	noname	-0.1006
5	C3    -0.4522     2.3271     0.3500	C.2	1	noname	-0.0257
6	N3     0.9917     1.6531     2.1401	N.2	1	noname	-0.2545
7	C4     0.4916     0.4361    -2.7098	C.3	1	noname	0.0142
8	C5    -0.0302     2.4071     1.6760	C.2	1	noname	0.0926
9	C6    -1.5063     3.2241     0.2110	C.2	1	noname	-0.0212
10	C7    -0.1623     0.5501    -4.0958	C.3	1	noname	0.0106
11	N4    -0.7843     3.3072     2.3290	N.3	1	noname	-0.0031
12	C8    -1.6823     3.8132     1.4661	C.2	1	noname	-0.0815
13	C9    -2.3193     3.5802    -0.8788	C.2	1	noname	-0.0344
14	N5     0.6006    -0.1867    -5.1257	N.3	1	noname	-0.3080
15	C10    -2.6794     4.7792     1.6781	C.2	1	noname	-0.0436
16	C11    -3.3223     4.5502    -0.6748	C.2	1	noname	-0.0531
17	C12     0.5205    -1.6447    -4.9167	C.3	1	noname	-0.0136
18	C13     0.0645     0.1412    -6.4596	C.3	1	noname	-0.0136
19	C14    -3.5014     5.1442     0.5932	C.2	1	noname	-0.0510
20	H1     2.3967     0.2231     1.6381	H	1	noname	0.1062
21	H2    -0.8903     1.8561    -2.1368	H	1	noname	0.1296
22	H3     0.4026    -0.5878    -2.3438	H	1	noname	0.0445
23	H4     1.5476     0.7021    -2.7898	H	1	noname	0.0445
24	H5    -0.1883     1.6072    -4.3667	H	1	noname	0.0443
25	H6    -1.1863     0.1772    -4.0447	H	1	noname	0.0443
26	H7    -0.6943     3.5492     3.2631	H	1	noname	0.1543
27	H8    -2.1933     3.1542    -1.7968	H	1	noname	0.0629
28	H9    -2.8064     5.2062     2.5962	H	1	noname	0.0642
29	H10    -3.9244     4.8253    -1.4517	H	1	noname	0.0622
30	H11    -0.5204    -1.9706    -4.8866	H	1	noname	0.0394
31	H12     1.0095    -1.9156    -3.9816	H	1	noname	0.0394
32	H13     1.0325    -2.1616    -5.7296	H	1	noname	0.0394
33	H14    -0.9844    -0.1537    -6.5326	H	1	noname	0.0394
34	H15     0.1475     1.2143    -6.6376	H	1	noname	0.0394
35	H16     0.6375    -0.3816    -7.2256	H	1	noname	0.0394
36	H17    -4.2324     5.8443     0.7252	H	1	noname	0.0623
@<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	2
10	5	9	1
11	6	8	1
12	7	10	1
13	7	22	1
14	7	23	1
15	8	11	1
16	9	12	2
17	9	13	1
18	10	14	1
19	10	24	1
20	10	25	1
21	11	12	1
22	11	26	1
23	12	15	1
24	13	16	2
25	13	27	1
26	14	17	1
27	14	18	1
28	15	19	2
29	15	28	1
30	16	19	1
31	16	29	1
32	17	30	1
33	17	31	1
34	17	32	1
35	18	33	1
36	18	34	1
37	18	35	1
38	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1