@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3329
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.7975     5.7000     4.8349	O.2	1	noname	-0.2773
2	C1     5.0454     5.6231     4.7610	C.2	1	noname	0.1271
3	N1     5.7004     5.2941     3.6200	N.3	1	noname	-0.1401
4	C2     5.8384     5.9261     5.9520	C.3	1	noname	0.0098
5	C3     5.1514     4.9932     2.4141	C.2	1	noname	-0.0236
6	C4     3.9173     4.3222     2.2561	C.2	1	noname	-0.0335
7	C5     5.8913     5.3342     1.2651	C.2	1	noname	-0.0580
8	C6     3.4242     4.0183     0.9731	C.2	1	noname	-0.0240
9	C7     5.4023     5.0363    -0.0178	C.2	1	noname	-0.0555
10	N2     2.2322     3.3963     0.8352	N.3	1	noname	0.0084
11	C8     4.1682     4.3823    -0.1637	C.2	1	noname	-0.0583
12	C9     2.0792     2.0493     0.7432	C.2	1	noname	0.0583
13	N3     3.1601     1.2274     0.7982	N.2	1	noname	-0.2177
14	C10     0.7971     1.4814     0.5912	C.2	1	noname	0.0028
15	C11     3.0581    -0.1185     0.7123	C.2	1	noname	0.0594
16	C12     0.7131     0.0704     0.5023	C.2	1	noname	0.0249
17	C13    -0.3978     2.2234     0.5183	C.2	1	noname	0.0256
18	N4     1.8370    -0.6815     0.5653	N.2	1	noname	-0.2357
19	C14    -0.5319    -0.5604     0.3483	C.2	1	noname	0.0085
20	N5    -1.5829     1.5815     0.3684	N.2	1	noname	-0.2577
21	C15    -1.6869     0.2336     0.2824	C.2	1	noname	0.0377
22	N6    -2.8960    -0.3243     0.1344	N.3	1	noname	-0.1172
23	H1     6.6694     5.3152     3.6610	H	1	noname	0.1370
24	H2     5.1823     6.1722     6.7871	H	1	noname	0.0324
25	H3     6.4433     5.0582     6.2151	H	1	noname	0.0324
26	H4     6.4913     6.7742     5.7470	H	1	noname	0.0324
27	H5     3.3782     4.0433     3.0761	H	1	noname	0.0656
28	H6     6.7913     5.8073     1.3601	H	1	noname	0.0639
29	H7     5.9443     5.2933    -0.8428	H	1	noname	0.0623
30	H8     1.4381     3.9514     0.8032	H	1	noname	0.1357
31	H9     3.8162     4.1673    -1.0977	H	1	noname	0.0639
32	H10     3.8931    -0.7025     0.7573	H	1	noname	0.1062
33	H11    -0.3859     3.2425     0.5754	H	1	noname	0.0848
34	H12    -0.5939    -1.5774     0.2844	H	1	noname	0.0679
35	H13    -2.9840    -1.2873     0.0715	H	1	noname	0.1257
36	H14    -3.6830     0.2397     0.0904	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	23	1
6	4	24	1
7	4	25	1
8	4	26	1
9	5	6	2
10	5	7	1
11	6	8	1
12	6	27	1
13	7	9	2
14	7	28	1
15	8	10	1
16	8	11	2
17	9	11	1
18	9	29	1
19	10	12	1
20	10	30	1
21	11	31	1
22	12	13	2
23	12	14	1
24	13	15	1
25	14	16	1
26	14	17	2
27	15	18	2
28	15	32	1
29	16	19	2
30	16	18	1
31	17	20	1
32	17	33	1
33	19	21	1
34	19	34	1
35	20	21	2
36	21	22	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1