@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445472
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     7.0525    -3.4783     3.3913	O.2	1	noname	-0.2522
2	C1     6.6585    -4.4952     2.8423	C.2	1	noname	0.1094
3	O2     7.2374    -5.6852     2.9804	O.3	1	noname	-0.1802
4	C2     5.5965    -4.5582     2.0044	C.2	1	noname	0.0310
5	C3     6.5254    -6.6671     2.2064	C.3	1	noname	0.1938
6	C4     4.7134    -3.5592     1.5664	C.2	1	noname	0.0725
7	C5     5.4704    -5.8722     1.5814	C.2	1	noname	0.0184
8	O3     5.9654    -7.6701     3.0505	O.3	1	noname	-0.3510
9	O4     4.8464    -2.2802     1.9874	O.3	1	noname	-0.2656
10	C6     3.6844    -3.9222     0.6745	C.2	1	noname	0.0597
11	C7     4.4494    -6.2581     0.6905	C.2	1	noname	0.0010
12	C8     6.8853    -8.4980     3.7565	C.3	1	noname	0.0391
13	O5     2.8244    -2.9731     0.2395	O.3	1	noname	-0.2652
14	C9     3.5524    -5.2611     0.2405	C.2	1	noname	0.0488
15	C10     4.3074    -7.6520     0.2365	C.3	1	noname	0.0152
16	O6     2.5554    -5.5850    -0.6153	O.3	1	noname	-0.2714
17	H1     7.1754    -7.1071     1.4485	H	1	noname	0.0984
18	H2     5.5933    -2.1341     2.6075	H	1	noname	0.2183
19	H3     6.3293    -9.2230     4.3505	H	1	noname	0.0530
20	H4     7.5253    -9.0270     3.0495	H	1	noname	0.0530
21	H5     7.5003    -7.8880     4.4195	H	1	noname	0.0530
22	H6     3.0054    -2.0811     0.6046	H	1	noname	0.2184
23	H7     5.0753    -8.2940     0.6685	H	1	noname	0.0281
24	H8     3.3293    -8.0320     0.5345	H	1	noname	0.0281
25	H9     4.3913    -7.6910    -0.8503	H	1	noname	0.0281
26	H10     2.5273    -6.5310    -0.8692	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	5	7	1
9	5	17	1
10	6	9	1
11	6	10	1
12	7	11	2
13	8	12	1
14	9	18	1
15	10	13	1
16	10	14	2
17	11	15	1
18	11	14	1
19	12	19	1
20	12	20	1
21	12	21	1
22	13	22	1
23	14	16	1
24	15	23	1
25	15	24	1
26	15	25	1
27	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1