@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445475
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    18.8213    -3.7270     3.4666	O.2	1	noname	-0.2546
2	C1    18.4433    -4.7390     2.8987	C.2	1	noname	0.1005
3	O2    19.0262    -5.9290     3.0317	O.3	1	noname	-0.2019
4	C2    17.3852    -4.8029     2.0557	C.2	1	noname	0.0230
5	C3    18.3372    -6.9039     2.2288	C.3	1	noname	0.0831
6	C4    16.4922    -3.8079     1.6277	C.2	1	noname	0.0700
7	C5    17.2751    -6.1119     1.6127	C.2	1	noname	0.0073
8	O3    16.6091    -2.5338     2.0668	O.3	1	noname	-0.2658
9	C6    15.4691    -4.1708     0.7298	C.2	1	noname	0.0588
10	C7    16.2601    -6.4989     0.7148	C.2	1	noname	-0.0071
11	O4    14.5970    -3.2278     0.3058	O.3	1	noname	-0.2653
12	C8    15.3531    -5.5048     0.2758	C.2	1	noname	0.0464
13	C9    16.1361    -7.8869     0.2408	C.3	1	noname	0.0133
14	O5    14.3620    -5.8288    -0.5871	O.3	1	noname	-0.2716
15	H1    17.9222    -7.6949     2.8548	H	1	noname	0.0625
16	H2    19.0032    -7.3199     1.4718	H	1	noname	0.0625
17	H3    17.3551    -2.3868     2.6898	H	1	noname	0.2183
18	H4    14.7660    -2.3367     0.6809	H	1	noname	0.2184
19	H5    16.9070    -8.5268     0.6739	H	1	noname	0.0280
20	H6    15.1590    -8.2818     0.5219	H	1	noname	0.0280
21	H7    16.2330    -7.9118    -0.8451	H	1	noname	0.0280
22	H8    14.3440    -6.7698    -0.8540	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	7	1
8	5	15	1
9	5	16	1
10	6	8	1
11	6	9	1
12	7	10	2
13	8	17	1
14	9	11	1
15	9	12	2
16	10	13	1
17	10	12	1
18	11	18	1
19	12	14	1
20	13	19	1
21	13	20	1
22	13	21	1
23	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1