@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440374
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    20.5693    -5.9727    -0.7013	O.2	1	noname	-0.2952
2	C1    21.3422    -5.0957    -0.2563	C.2	1	noname	0.1049
3	C2    22.6601    -4.9757    -0.7263	C.2	1	noname	0.0113
4	C3    20.8832    -4.2187     0.8396	C.3	1	noname	0.0112
5	C4    23.5380    -4.0267    -0.2232	C.2	1	noname	-0.0295
6	C5    23.3501    -5.7036    -1.6952	C.2	1	noname	0.0265
7	C6    21.6472    -2.8737     0.8826	C.3	1	noname	-0.0407
8	N1    24.7179    -4.1717    -0.8392	N.3	1	noname	0.0046
9	C7    23.1810    -3.0597     0.8227	C.3	1	noname	-0.0135
10	C8    24.6459    -5.1686    -1.7401	C.2	1	noname	-0.0653
11	C9    22.7790    -6.8106    -2.4791	C.3	1	noname	0.0211
12	C10    25.7359    -5.5365    -2.5410	C.2	1	noname	0.0832
13	O2    25.6808    -6.4595    -3.3830	O.2	1	noname	-0.2535
14	O3    26.9058    -4.8755    -2.4150	O.3	1	noname	-0.2144
15	H1    21.0252    -4.7416     1.7856	H	1	noname	0.0350
16	H2    19.8202    -4.0117     0.7116	H	1	noname	0.0350
17	H3    21.3331    -2.2667     0.0317	H	1	noname	0.0275
18	H4    21.3861    -2.3417     1.7986	H	1	noname	0.0275
19	H5    25.5079    -3.6347    -0.6691	H	1	noname	0.1526
20	H6    23.6460    -2.0977     0.6047	H	1	noname	0.0329
21	H7    23.5450    -3.4226     1.7837	H	1	noname	0.0329
22	H8    23.5030    -7.2345    -3.1720	H	1	noname	0.0280
23	H9    22.4450    -7.5975    -1.8021	H	1	noname	0.0280
24	H10    21.9230    -6.4455    -3.0490	H	1	noname	0.0280
25	H11    27.6057    -5.2015    -3.0169	H	1	noname	0.2217
@<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	1
7	4	15	1
8	4	16	1
9	5	8	1
10	5	9	1
11	6	10	2
12	6	11	1
13	7	9	1
14	7	17	1
15	7	18	1
16	8	10	1
17	8	19	1
18	9	20	1
19	9	21	1
20	10	12	1
21	11	22	1
22	11	23	1
23	11	24	1
24	12	13	2
25	12	14	1
26	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1