@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445471
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    14.8229    -3.3196     1.0474	O.2	1	noname	-0.2999
2	C1    13.9109    -3.2885     0.2365	C.2	1	noname	0.1015
3	C2    12.8059    -4.0945     0.3795	C.2	1	noname	0.0071
4	C3    11.5389    -3.4724     0.4036	C.2	1	noname	0.0556
5	C4    12.9038    -5.5074     0.5046	C.2	1	noname	-0.0088
6	O2    11.4028    -2.1275     0.2926	O.3	1	noname	-0.2690
7	C5    10.3759    -4.2394     0.5616	C.2	1	noname	0.0531
8	C6    11.7199    -6.2753     0.6746	C.2	1	noname	-0.0133
9	C7    14.2137    -6.1983     0.4446	C.3	1	noname	0.0725
10	O3     9.1709    -3.6244     0.5867	O.3	1	noname	-0.2658
11	C8    10.4648    -5.6322     0.7006	C.2	1	noname	0.0397
12	C9    11.7278    -7.7472     0.8227	C.3	1	noname	0.0127
13	O4    14.5097    -6.7692     1.7176	O.3	1	noname	-0.3798
14	O5     9.3268    -6.3502     0.8587	O.3	1	noname	-0.2730
15	C10    15.7176    -7.5161     1.8206	C.3	1	noname	0.0360
16	H1    13.9278    -2.5935    -0.4713	H	1	noname	0.1099
17	H2    12.2417    -1.6225     0.2447	H	1	noname	0.2183
18	H3    14.1747    -6.9812    -0.3152	H	1	noname	0.0618
19	H4    15.0267    -5.5263     0.1707	H	1	noname	0.0618
20	H5     9.2238    -2.6504     0.4917	H	1	noname	0.2184
21	H6    12.7287    -8.1721     0.7917	H	1	noname	0.0280
22	H7    11.2778    -8.0161     1.7787	H	1	noname	0.0280
23	H8    11.1438    -8.1961     0.0168	H	1	noname	0.0280
24	H9     9.4618    -7.3151     0.9547	H	1	noname	0.2183
25	H10    15.8185    -7.8941     2.8386	H	1	noname	0.0529
26	H11    15.6945    -8.3571     1.1267	H	1	noname	0.0529
27	H12    16.5705    -6.8761     1.5907	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	16	1
4	3	4	2
5	3	5	1
6	4	6	1
7	4	7	1
8	5	8	2
9	5	9	1
10	6	17	1
11	7	10	1
12	7	11	2
13	8	12	1
14	8	11	1
15	9	13	1
16	9	18	1
17	9	19	1
18	10	20	1
19	11	14	1
20	12	21	1
21	12	22	1
22	12	23	1
23	13	15	1
24	14	24	1
25	15	25	1
26	15	26	1
27	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1