@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3746
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.7421     2.0908     1.2192	N.2	1	noname	-0.2328
2	C1     0.6300     2.7339     1.6683	C.2	1	noname	0.0384
3	C2     2.1751     2.1849    -0.0676	C.2	1	noname	0.0241
4	N2     0.2170     2.6319     2.9484	N.3	1	noname	-0.0985
5	C3    -0.0859     3.5179     0.7553	C.2	1	noname	0.0219
6	N3     1.4910     2.9449    -0.9626	N.2	1	noname	-0.2443
7	C4     0.9050     1.8569     3.9194	C.3	1	noname	0.0266
8	N4    -1.2000     4.2600     0.8924	N.3	1	noname	-0.0331
9	C5     0.3800     3.6000    -0.5536	C.2	1	noname	0.0249
10	C6     0.2049     1.9349     5.2145	C.2	1	noname	-0.0486
11	C7    -1.4701     4.8240    -0.2985	C.2	1	noname	-0.0690
12	C8    -0.5010     4.4330    -1.2276	C.2	1	noname	-0.0009
13	C9    -1.1011     1.4190     5.3446	C.2	1	noname	-0.0531
14	C10     0.8269     2.5210     6.3366	C.2	1	noname	-0.0531
15	C11    -2.5181     5.6811    -0.6705	C.2	1	noname	-0.0408
16	C12    -0.5381     4.8811    -2.5576	C.2	1	noname	-0.0281
17	C13    -1.7771     1.4910     6.5757	C.2	1	noname	-0.0594
18	C14     0.1518     2.5940     7.5677	C.2	1	noname	-0.0594
19	C15    -2.5681     6.1391    -2.0035	C.2	1	noname	-0.0506
20	C16    -1.5871     5.7422    -2.9385	C.2	1	noname	-0.0518
21	C17    -1.1501     2.0801     7.6867	C.2	1	noname	-0.0613
22	H1     3.0151     1.6859    -0.3606	H	1	noname	0.1062
23	H2    -0.5810     3.1109     3.2174	H	1	noname	0.1300
24	H3     0.9469     0.8140     3.5985	H	1	noname	0.0482
25	H4     1.9269     2.2310     4.0135	H	1	noname	0.0482
26	H5    -1.7161     4.3690     1.7054	H	1	noname	0.1529
27	H6    -1.5621     0.9900     4.5416	H	1	noname	0.0626
28	H7     1.7719     2.8981     6.2586	H	1	noname	0.0626
29	H8    -3.2252     5.9651     0.0065	H	1	noname	0.0642
30	H9     0.1738     4.5921    -3.2295	H	1	noname	0.0630
31	H10    -2.7222     1.1171     6.6617	H	1	noname	0.0622
32	H11     0.6068     3.0211     8.3747	H	1	noname	0.0622
33	H12    -3.3212     6.7632    -2.2944	H	1	noname	0.0623
34	H13    -1.6372     6.0832    -3.8995	H	1	noname	0.0622
35	H14    -1.6402     2.1331     8.5808	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	22	1
7	4	7	1
8	4	23	1
9	5	8	1
10	5	9	2
11	6	9	1
12	7	10	1
13	7	24	1
14	7	25	1
15	8	11	1
16	8	26	1
17	9	12	1
18	10	13	2
19	10	14	1
20	11	15	1
21	11	12	2
22	12	16	1
23	13	17	1
24	13	27	1
25	14	18	2
26	14	28	1
27	15	19	2
28	15	29	1
29	16	20	2
30	16	30	1
31	17	21	2
32	17	31	1
33	18	21	1
34	18	32	1
35	19	20	1
36	19	33	1
37	20	34	1
38	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1