@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3334
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4073    10.2595     2.0631	O.2	1	noname	-0.1448
2	N1     2.9412     9.7415     1.1181	N.2	1	noname	-0.0156
3	O2     3.3262    10.4845     0.2502	O.3	1	noname	-0.1448
4	C1     3.1011     8.3856     1.0322	C.2	1	noname	0.0350
5	C2     3.7591     7.7996    -0.0726	C.2	1	noname	0.0284
6	C3     2.6121     7.5297     2.0453	C.2	1	noname	0.0284
7	C4     3.9230     6.4077    -0.1636	C.2	1	noname	-0.0250
8	C5     2.7750     6.1367     1.9573	C.2	1	noname	-0.0250
9	C6     3.4300     5.5638     0.8503	C.2	1	noname	-0.0146
10	C7     3.5970     4.1018     0.7654	C.3	1	noname	0.0265
11	N2     2.3269     3.4679     0.6854	N.3	1	noname	-0.0981
12	C8     2.1739     2.1240     0.6234	C.2	1	noname	0.0552
13	N3     3.2719     1.3270     0.6414	N.2	1	noname	-0.2264
14	C9     0.8959     1.5380     0.5415	C.2	1	noname	-0.0044
15	C10     3.1868    -0.0218     0.5845	C.2	1	noname	0.0578
16	C11     0.8308     0.1261     0.4825	C.2	1	noname	0.0234
17	C12    -0.3111     2.2640     0.5135	C.2	1	noname	0.0246
18	N4     1.9688    -0.6068     0.5055	N.2	1	noname	-0.2432
19	C13    -0.4111    -0.5248     0.3996	C.2	1	noname	0.0083
20	N5    -1.4921     1.6031     0.4325	N.2	1	noname	-0.2578
21	C14    -1.5801     0.2512     0.3756	C.2	1	noname	0.0377
22	N6    -2.7861    -0.3247     0.2977	N.3	1	noname	-0.1172
23	H1     4.1240     8.3917    -0.8196	H	1	noname	0.0647
24	H2     2.1330     7.9227     2.8563	H	1	noname	0.0647
25	H3     4.4020     6.0098    -0.9716	H	1	noname	0.0626
26	H4     2.4140     5.5398     2.7023	H	1	noname	0.0626
27	H5     4.1829     3.8329    -0.1165	H	1	noname	0.0482
28	H6     4.1279     3.7519     1.6534	H	1	noname	0.0482
29	H7     1.5349     4.0270     0.6744	H	1	noname	0.1300
30	H8     4.0318    -0.5928     0.6005	H	1	noname	0.1062
31	H9    -0.3101     3.2841     0.5535	H	1	noname	0.0848
32	H10    -0.4612    -1.5437     0.3576	H	1	noname	0.0679
33	H11    -2.8642    -1.2896     0.2567	H	1	noname	0.1257
34	H12    -3.5822     0.2283     0.2807	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	23	1
8	6	8	2
9	6	24	1
10	7	9	2
11	7	25	1
12	8	9	1
13	8	26	1
14	9	10	1
15	10	11	1
16	10	27	1
17	10	28	1
18	11	12	1
19	11	29	1
20	12	13	2
21	12	14	1
22	13	15	1
23	14	16	1
24	14	17	2
25	15	18	2
26	15	30	1
27	16	19	2
28	16	18	1
29	17	20	1
30	17	31	1
31	19	21	1
32	19	32	1
33	20	21	2
34	21	22	1
35	22	33	1
36	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1