@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3733
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -6.2216    -3.8525     0.4372	O.3	1	noname	-0.3949
2	C1    -5.9457    -2.5015     0.0913	C.3	1	noname	0.0561
3	C2    -4.5778    -2.0984     0.6533	C.3	1	noname	0.0247
4	N1    -4.3018    -0.7445     0.3263	N.3	1	noname	-0.1040
5	C3    -3.1649    -0.1195     0.6983	C.2	1	noname	0.0395
6	N2    -2.2140    -0.7704     1.4123	N.2	1	noname	-0.2633
7	C4    -2.9690     1.2234     0.3434	C.2	1	noname	-0.0045
8	C5    -1.0701    -0.1594     1.7964	C.2	1	noname	0.0499
9	C6    -1.7821     1.8504     0.7535	C.2	1	noname	0.0410
10	N3    -0.8702     1.1365     1.4634	N.2	1	noname	-0.2622
11	N4    -1.5901     3.1504     0.4105	N.3	1	noname	0.0035
12	C7    -0.5162     3.9204     0.7235	C.2	1	noname	-0.0336
13	C8     0.0786     3.9294     2.0035	C.2	1	noname	-0.0636
14	C9    -0.0203     4.7914    -0.2653	C.2	1	noname	-0.0670
15	C10     1.1695     4.7734     2.2875	C.2	1	noname	-0.0606
16	C11     1.0675     5.6364     0.0086	C.2	1	noname	-0.0650
17	C12     1.6625     5.6255     1.2806	C.2	1	noname	-0.0881
18	C13     1.7715     4.7565     3.6295	C.3	1	noname	-0.0017
19	H1    -7.0856    -4.1844     0.1153	H	1	noname	0.2100
20	H2    -6.7197    -1.8585     0.5123	H	1	noname	0.0576
21	H3    -5.9417    -2.4014    -0.9945	H	1	noname	0.0576
22	H4    -3.8119    -2.7474     0.2243	H	1	noname	0.0456
23	H5    -4.5879    -2.2224     1.7372	H	1	noname	0.0456
24	H6    -4.9589    -0.2475    -0.1845	H	1	noname	0.1297
25	H7    -3.6720     1.7304    -0.1944	H	1	noname	0.0689
26	H8    -0.3672    -0.6693     2.3314	H	1	noname	0.1062
27	H9    -2.2701     3.5584    -0.1473	H	1	noname	0.1357
28	H10    -0.2883     3.3225     2.7375	H	1	noname	0.0642
29	H11    -0.4483     4.8094    -1.1922	H	1	noname	0.0639
30	H12     1.4245     6.2604    -0.7162	H	1	noname	0.0623
31	H13     2.4514     6.2435     1.4727	H	1	noname	0.0625
32	H14     2.6014     5.4615     3.6996	H	1	noname	0.0279
33	H15     1.0185     5.0275     4.3715	H	1	noname	0.0279
34	H16     2.1444     3.7556     3.8496	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	1
2	1	19	1
3	2	3	1
4	2	20	1
5	2	21	1
6	3	4	1
7	3	22	1
8	3	23	1
9	4	5	1
10	4	24	1
11	5	6	2
12	5	7	1
13	6	8	1
14	7	9	2
15	7	25	1
16	8	10	2
17	8	26	1
18	9	11	1
19	9	10	1
20	11	12	1
21	11	27	1
22	12	13	2
23	12	14	1
24	13	15	1
25	13	28	1
26	14	16	2
27	14	29	1
28	15	17	2
29	15	18	1
30	16	17	1
31	16	30	1
32	17	31	1
33	18	32	1
34	18	33	1
35	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1