@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3283
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.3419    -1.3117     2.4495	O.3	1	noname	-0.2744
2	C1    -4.2299    -0.8196     1.8285	C.2	1	noname	0.0262
3	C2    -5.5699    -2.7127     2.6235	C.3	1	noname	0.0423
4	C3    -3.2029    -1.6306     1.3006	C.2	1	noname	0.0257
5	C4    -4.1229     0.5783     1.7206	C.2	1	noname	-0.0150
6	C5    -2.0880    -1.0486     0.6726	C.2	1	noname	0.0534
7	C6    -3.0120     1.1684     1.0946	C.2	1	noname	-0.0088
8	N1    -1.1130    -1.8445     0.1717	N.2	1	noname	-0.2576
9	C7    -1.9850     0.3604     0.5657	C.2	1	noname	-0.0221
10	C8    -0.0241    -1.3285    -0.4411	C.2	1	noname	0.0472
11	C9    -0.8401     0.8705    -0.0792	C.2	1	noname	0.0413
12	N2     0.0968     0.0135    -0.5581	N.2	1	noname	-0.2491
13	N3    -0.6581     2.2035    -0.2312	N.3	1	noname	-0.1008
14	C10     0.4767     2.7636    -0.8792	C.3	1	noname	0.0265
15	C11     0.3877     4.2357    -0.8761	C.2	1	noname	-0.0486
16	C12     0.2816     4.9547    -2.0840	C.2	1	noname	-0.0531
17	C13     0.4156     4.9417     0.3438	C.2	1	noname	-0.0531
18	C14     0.2016     6.3587    -2.0720	C.2	1	noname	-0.0594
19	C15     0.3366     6.3448     0.3569	C.2	1	noname	-0.0594
20	C16     0.2295     7.0538    -0.8509	C.2	1	noname	-0.0613
21	H1    -6.5189    -2.8536     3.1406	H	1	noname	0.0535
22	H2    -5.6189    -3.2116     1.6546	H	1	noname	0.0535
23	H3    -4.7729    -3.1536     3.2236	H	1	noname	0.0535
24	H4    -3.2650    -2.6456     1.3716	H	1	noname	0.0673
25	H5    -4.8610     1.1724     2.1006	H	1	noname	0.0650
26	H6    -2.9600     2.1865     1.0296	H	1	noname	0.0631
27	H7     0.6988    -1.9444    -0.8121	H	1	noname	0.1062
28	H8    -1.3342     2.8066     0.1148	H	1	noname	0.1300
29	H9     0.5227     2.3857    -1.9041	H	1	noname	0.0482
30	H10     1.3867     2.4596    -0.3581	H	1	noname	0.0482
31	H11     0.2606     4.4587    -2.9750	H	1	noname	0.0626
32	H12     0.4946     4.4338     1.2259	H	1	noname	0.0626
33	H13     0.1245     6.8728    -2.9500	H	1	noname	0.0622
34	H14     0.3585     6.8488     1.2439	H	1	noname	0.0622
35	H15     0.1725     8.0728    -0.8419	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	21	1
6	3	22	1
7	3	23	1
8	4	6	1
9	4	24	1
10	5	7	2
11	5	25	1
12	6	8	2
13	6	9	1
14	7	9	1
15	7	26	1
16	8	10	1
17	9	11	2
18	10	12	2
19	10	27	1
20	11	13	1
21	11	12	1
22	13	14	1
23	13	28	1
24	14	15	1
25	14	29	1
26	14	30	1
27	15	16	2
28	15	17	1
29	16	18	1
30	16	31	1
31	17	19	2
32	17	32	1
33	18	20	2
34	18	33	1
35	19	20	1
36	19	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1