@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3333
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4609     7.4924     4.0427	O.2	1	noname	-0.1447
2	N1     1.9268     8.1634     3.1607	N.2	1	noname	-0.0153
3	O2     1.8067     9.3574     3.2798	O.3	1	noname	-0.1447
4	C1     2.5557     7.6045     2.0818	C.2	1	noname	0.0368
5	C2     2.7327     6.2046     1.9899	C.2	1	noname	0.0342
6	C3     3.0467     8.4085     1.0289	C.2	1	noname	0.0264
7	C4     3.3796     5.6166     0.8840	C.2	1	noname	-0.0205
8	C5     3.6926     7.8355    -0.0769	C.2	1	noname	-0.0313
9	C6     3.8596     6.4436    -0.1489	C.2	1	noname	-0.0187
10	C7     3.5496     4.1537     0.8200	C.3	1	noname	0.0266
11	N2     2.2816     3.5168     0.7430	N.3	1	noname	-0.0981
12	C8     2.1325     2.1728     0.6861	C.2	1	noname	0.0552
13	N3     3.2325     1.3779     0.7121	N.2	1	noname	-0.2264
14	C9     0.8565     1.5829     0.5961	C.2	1	noname	-0.0044
15	C10     3.1514     0.0290     0.6562	C.2	1	noname	0.0578
16	C11     0.7955     0.1700     0.5352	C.2	1	noname	0.0234
17	C12    -0.3514     2.3049     0.5591	C.2	1	noname	0.0246
18	N4     1.9364    -0.5589     0.5672	N.2	1	noname	-0.2432
19	C13    -0.4434    -0.4838     0.4402	C.2	1	noname	0.0083
20	N5    -1.5304     1.6400     0.4672	N.2	1	noname	-0.2578
21	C14    -1.6144     0.2891     0.4062	C.2	1	noname	0.0377
22	N6    -2.8174    -0.2898     0.3143	N.3	1	noname	-0.1172
23	H1     2.3877     5.6036     2.7389	H	1	noname	0.0650
24	H2     2.9327     9.4225     1.0670	H	1	noname	0.0647
25	H3     4.0416     8.4305    -0.8298	H	1	noname	0.0623
26	H4     4.3305     6.0347    -0.9568	H	1	noname	0.0626
27	H5     4.1395     3.8747    -0.0568	H	1	noname	0.0482
28	H6     4.0795     3.8167     1.7140	H	1	noname	0.0482
29	H7     1.4876     4.0728     0.7271	H	1	noname	0.1300
30	H8     3.9983    -0.5389     0.6782	H	1	noname	0.1062
31	H9    -0.3544     3.3250     0.6012	H	1	noname	0.0848
32	H10    -0.4905    -1.5028     0.3963	H	1	noname	0.0679
33	H11    -2.8935    -1.2547     0.2693	H	1	noname	0.1257
34	H12    -3.6155     0.2622     0.2933	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	10	1
12	8	9	1
13	8	25	1
14	9	26	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