@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3275
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5026     3.1073     1.8118	O.2	1	noname	-0.1434
2	N1    -2.9976     2.3424     1.0298	N.2	1	noname	-0.0077
3	O2    -3.4957     2.7744     0.0249	O.3	1	noname	-0.1434
4	C1    -2.8726     1.0115     1.2098	C.2	1	noname	0.0574
5	C2    -1.8277     0.2456     0.6259	C.2	1	noname	0.0195
6	C3    -3.8407     0.3795     2.0168	C.2	1	noname	0.0217
7	C4    -0.7958     0.7616    -0.1959	C.2	1	noname	0.0698
8	C5    -1.7888    -1.1532     0.8700	C.2	1	noname	0.0795
9	C6    -3.7857    -1.0023     2.2499	C.2	1	noname	-0.0141
10	N2     0.1460    -0.0742    -0.6998	N.2	1	noname	-0.2210
11	N3    -0.6999     2.0766    -0.5108	N.3	1	noname	-0.0958
12	N4    -0.8159    -1.9252     0.3320	N.2	1	noname	-0.2303
13	C7    -2.7618    -1.7681     1.6760	C.2	1	noname	0.0141
14	C8     0.1499    -1.4011    -0.4508	C.2	1	noname	0.0662
15	C9     0.3199     2.6106    -1.3437	C.3	1	noname	0.0265
16	C10     0.1159     4.0596    -1.5177	C.2	1	noname	-0.0486
17	C11     1.0769     4.9867    -1.0647	C.2	1	noname	-0.0531
18	C12    -1.0550     4.5357    -2.1446	C.2	1	noname	-0.0531
19	C13     0.8698     6.3667    -1.2336	C.2	1	noname	-0.0594
20	C14    -1.2630     5.9146    -2.3136	C.2	1	noname	-0.0594
21	C15    -0.3001     6.8307    -1.8576	C.2	1	noname	-0.0613
22	H1    -4.5907     0.9296     2.4379	H	1	noname	0.0647
23	H2    -4.4917    -1.4502     2.8359	H	1	noname	0.0624
24	H3    -1.3589     2.6946    -0.1638	H	1	noname	0.1300
25	H4    -2.7248    -2.7740     1.8470	H	1	noname	0.0645
26	H5     0.8749    -1.9991    -0.8487	H	1	noname	0.1062
27	H6     0.2879     2.1267    -2.3227	H	1	noname	0.0482
28	H7     1.2929     2.4107    -0.8887	H	1	noname	0.0482
29	H8     1.9288     4.6587    -0.6086	H	1	noname	0.0626
30	H9    -1.7590     3.8757    -2.4766	H	1	noname	0.0626
31	H10     1.5697     7.0317    -0.9026	H	1	noname	0.0622
32	H11    -2.1140     6.2507    -2.7655	H	1	noname	0.0622
33	H12    -0.4511     7.8327    -1.9775	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	9	1
9	6	22	1
10	7	10	1
11	7	11	1
12	8	12	2
13	8	13	1
14	9	13	2
15	9	23	1
16	10	14	2
17	11	15	1
18	11	24	1
19	12	14	1
20	13	25	1
21	14	26	1
22	15	16	1
23	15	27	1
24	15	28	1
25	16	17	2
26	16	18	1
27	17	19	1
28	17	29	1
29	18	20	2
30	18	30	1
31	19	21	2
32	19	31	1
33	20	21	1
34	20	32	1
35	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1