@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3869
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3017     3.3869     0.0000	O.3	1	noname	-0.2758
2	C1    -1.6167     2.1150     0.3280	C.2	1	noname	0.0295
3	C2    -0.6978     1.0491     0.2210	C.2	1	noname	-0.0198
4	C3    -2.9297     1.8351     0.7580	C.2	1	noname	-0.0106
5	N1     0.6031     0.9832    -0.1378	N.3	1	noname	-0.0099
6	C4    -1.1078    -0.2567     0.4931	C.2	1	noname	0.0174
7	C5    -3.3257     0.5151     1.0540	C.2	1	noname	-0.0319
8	C6     1.4690     1.9952    -0.4408	C.2	1	noname	-0.0234
9	C7     0.9370    -0.3267    -0.1108	C.2	1	noname	-0.0448
10	N2    -0.0909    -1.0986     0.2811	N.2	1	noname	-0.2408
11	C8    -2.4138    -0.5477     0.9161	C.2	1	noname	-0.0164
12	C9     2.2429     1.9482    -1.6218	C.2	1	noname	-0.0540
13	C10     1.6439     3.0842     0.4411	C.2	1	noname	-0.0540
14	C11     3.1519     2.9762    -1.9247	C.2	1	noname	-0.0617
15	C12     2.5519     4.1132     0.1391	C.2	1	noname	-0.0617
16	C13     3.3048     4.0602    -1.0447	C.2	1	noname	-0.0844
17	H1    -0.4327     3.4990    -0.4349	H	1	noname	0.2182
18	H2    -3.6057     2.5951     0.8451	H	1	noname	0.0650
19	H3    -4.2807     0.3282     1.3611	H	1	noname	0.0624
20	H4     1.8639    -0.6936    -0.3338	H	1	noname	0.1019
21	H5    -2.6958    -1.5076     1.1161	H	1	noname	0.0646
22	H6     2.1399     1.1652    -2.2687	H	1	noname	0.0642
23	H7     1.1099     3.1272     1.3101	H	1	noname	0.0642
24	H8     3.7008     2.9342    -2.7827	H	1	noname	0.0623
25	H9     2.6668     4.8972     0.7831	H	1	noname	0.0623
26	H10     3.9657     4.8062    -1.2636	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	17	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	6	1
7	4	7	2
8	4	18	1
9	5	8	1
10	5	9	1
11	6	10	1
12	6	11	2
13	7	11	1
14	7	19	1
15	8	12	2
16	8	13	1
17	9	10	2
18	9	20	1
19	11	21	1
20	12	14	1
21	12	22	1
22	13	15	2
23	13	23	1
24	14	16	2
25	14	24	1
26	15	16	1
27	15	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1