@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3280
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.5524     0.8743     2.9749	O.3	1	noname	-0.2767
2	C1    -3.5805     0.2184     2.2750	C.2	1	noname	0.0117
3	C2    -4.6625     2.2993     2.9890	C.3	1	noname	0.0423
4	C3    -2.6026     0.8704     1.4940	C.2	1	noname	0.0135
5	C4    -3.5735    -1.1855     2.3530	C.2	1	noname	0.0007
6	C5    -1.6256     0.1265     0.7971	C.2	1	noname	-0.0127
7	C6    -2.6066    -1.9364     1.6641	C.2	1	noname	0.0041
8	C7    -0.6207     0.7105    -0.0017	C.2	1	noname	0.0371
9	C8    -1.6327    -1.2874     0.8872	C.2	1	noname	0.0442
10	N1     0.2782    -0.0843    -0.6337	N.2	1	noname	-0.2429
11	N2    -0.5358     2.0535    -0.1507	N.3	1	noname	-0.1018
12	N3    -0.7028    -2.0183     0.2282	N.2	1	noname	-0.2525
13	C9     0.2511    -1.4323    -0.5297	C.2	1	noname	0.0414
14	C10     0.4591     2.6845    -0.9447	C.3	1	noname	0.0265
15	C11     0.3031     4.1496    -0.8846	C.2	1	noname	-0.0486
16	C12     0.0000     4.8916    -2.0456	C.2	1	noname	-0.0531
17	C13     0.4640     4.8276     0.3413	C.2	1	noname	-0.0531
18	C14    -0.1459     6.2887    -1.9796	C.2	1	noname	-0.0594
19	C15     0.3170     6.2237     0.4084	C.2	1	noname	-0.0594
20	C16     0.0109     6.9547    -0.7515	C.2	1	noname	-0.0613
21	H1    -5.5075     2.5804     3.6170	H	1	noname	0.0535
22	H2    -3.7545     2.7453     3.4000	H	1	noname	0.0535
23	H3    -4.8325     2.6774     1.9790	H	1	noname	0.0535
24	H4    -2.6046     1.8884     1.4351	H	1	noname	0.0658
25	H5    -4.2766    -1.6654     2.9151	H	1	noname	0.0650
26	H6    -2.6137    -2.9554     1.7301	H	1	noname	0.0646
27	H7    -1.1838     2.6116     0.3052	H	1	noname	0.1300
28	H8     0.9431    -2.0013    -1.0176	H	1	noname	0.1062
29	H9     0.3681     2.3316    -1.9746	H	1	noname	0.0482
30	H10     1.4511     2.4166    -0.5746	H	1	noname	0.0482
31	H11    -0.1159     4.4167    -2.9405	H	1	noname	0.0626
32	H12     0.6889     4.3037     1.1873	H	1	noname	0.0626
33	H13    -0.3660     6.8187    -2.8225	H	1	noname	0.0622
34	H14     0.4329     6.7067     1.2994	H	1	noname	0.0622
35	H15    -0.0970     7.9677    -0.7035	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	8	11	1
18	9	12	2
19	10	13	2
20	11	14	1
21	11	27	1
22	12	13	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