@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444879
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.7797   -10.7931     2.3431	O.2	1	noname	-0.3004
2	C1     6.1647   -10.9061     1.2902	C.2	1	noname	0.0627
3	C2     5.0566   -10.1001     1.0833	C.2	1	noname	-0.0174
4	C3     6.5976   -11.7840     0.3533	C.2	1	noname	0.0239
5	C4     3.8796   -10.6151     0.4933	C.2	1	noname	-0.0203
6	C5     5.0796    -8.7431     1.4743	C.2	1	noname	-0.0203
7	C6     7.5085   -12.7319     0.6024	C.2	1	noname	-0.0285
8	C7     2.7576    -9.7920     0.2944	C.2	1	noname	-0.0482
9	C8     3.9576    -7.9191     1.2754	C.2	1	noname	-0.0482
10	C9     7.9445   -13.6548    -0.4104	C.3	1	noname	0.0649
11	C10     2.7966    -8.4441     0.6844	C.2	1	noname	-0.0435
12	O2     7.6254   -14.9777     0.0105	O.3	1	noname	-0.3804
13	C11     7.9994   -16.0366    -0.8653	C.3	1	noname	0.0360
14	H1     6.2216   -11.7300    -0.5645	H	1	noname	0.0661
15	H2     3.8326   -11.5950     0.2104	H	1	noname	0.0630
16	H3     5.9165    -8.3491     1.9063	H	1	noname	0.0630
17	H4     7.8985   -12.8149     1.5094	H	1	noname	0.0601
18	H5     1.9136   -10.1750    -0.1325	H	1	noname	0.0622
19	H6     3.9875    -6.9401     1.5604	H	1	noname	0.0622
20	H7     7.4575   -13.4508    -1.3664	H	1	noname	0.0611
21	H8     9.0234   -13.5598    -0.5334	H	1	noname	0.0611
22	H9     1.9826    -7.8470     0.5415	H	1	noname	0.0622
23	H10     7.7023   -16.9875    -0.4243	H	1	noname	0.0529
24	H11     7.4994   -15.9156    -1.8272	H	1	noname	0.0529
25	H12     9.0793   -16.0316    -1.0143	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	4	14	1
8	5	8	1
9	5	15	1
10	6	9	2
11	6	16	1
12	7	10	1
13	7	17	1
14	8	11	2
15	8	18	1
16	9	11	1
17	9	19	1
18	10	12	1
19	10	20	1
20	10	21	1
21	11	22	1
22	12	13	1
23	13	23	1
24	13	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1