@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3946
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.2686     0.8701    -0.6090	O.3	1	noname	-0.2647
2	C1    -2.9276     0.9591    -0.3959	C.2	1	noname	0.0482
3	C2    -4.9266     1.8951    -1.3579	C.3	1	noname	0.0424
4	C3    -2.3437     2.0252     0.3360	C.2	1	noname	0.0463
5	C4    -2.1146    -0.0587    -0.9319	C.2	1	noname	0.0324
6	O2    -3.0887     3.0172     0.8961	O.3	1	noname	-0.2646
7	C5    -0.9447     2.0922     0.4960	C.2	1	noname	0.0122
8	C6    -0.7267     0.0212    -0.7488	C.2	1	noname	0.0089
9	C7    -4.0417     2.6872     1.9101	C.3	1	noname	0.0424
10	C8    -0.1417     1.0682    -0.0428	C.2	1	noname	-0.0472
11	N1     0.2291    -0.8046    -1.1878	N.2	1	noname	-0.2434
12	N2     1.1941     0.8673    -0.0498	N.3	1	noname	-0.0253
13	C9     1.3871    -0.2706    -0.7567	C.2	1	noname	-0.0360
14	C10     2.1840     1.6243     0.5242	C.2	1	noname	-0.0236
15	C11     3.4010     1.8514    -0.1587	C.2	1	noname	-0.0550
16	C12     2.0300     2.1784     1.8152	C.2	1	noname	-0.0550
17	C13     4.4239     2.6204     0.4213	C.2	1	noname	-0.0619
18	C14     3.0499     2.9494     2.3982	C.2	1	noname	-0.0619
19	C15     4.2469     3.1724     1.7003	C.2	1	noname	-0.0853
20	H1    -5.9796     1.6331    -1.4609	H	1	noname	0.0535
21	H2    -4.8536     2.8581    -0.8509	H	1	noname	0.0535
22	H3    -4.4846     1.9761    -2.3529	H	1	noname	0.0535
23	H4    -2.5247    -0.8307    -1.4568	H	1	noname	0.0674
24	H5    -0.5278     2.8732     1.0001	H	1	noname	0.0671
25	H6    -4.5048     3.6073     2.2681	H	1	noname	0.0535
26	H7    -4.8208     2.0343     1.5162	H	1	noname	0.0535
27	H8    -3.5448     2.1943     2.7471	H	1	noname	0.0535
28	H9     2.3000    -0.6915    -0.9387	H	1	noname	0.1019
29	H10     3.5439     1.4624    -1.0916	H	1	noname	0.0642
30	H11     1.1750     2.0104     2.3462	H	1	noname	0.0642
31	H12     5.2939     2.7794    -0.0876	H	1	noname	0.0623
32	H13     2.9219     3.3434     3.3313	H	1	noname	0.0623
33	H14     4.9888     3.7315     2.1223	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	20	1
6	3	21	1
7	3	22	1
8	4	6	1
9	4	7	1
10	5	8	2
11	5	23	1
12	6	9	1
13	7	10	2
14	7	24	1
15	8	11	1
16	8	10	1
17	9	25	1
18	9	26	1
19	9	27	1
20	10	12	1
21	11	13	2
22	12	14	1
23	12	13	1
24	13	28	1
25	14	15	2
26	14	16	1
27	15	17	1
28	15	29	1
29	16	18	2
30	16	30	1
31	17	19	2
32	17	31	1
33	18	19	1
34	18	32	1
35	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1