@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4092
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.8684    -3.4735     0.5204	O.3	1	noname	-0.2697
2	C1     7.3383    -4.7315     0.3715	C.2	1	noname	0.0286
3	C2     6.4543    -5.8285     0.2875	C.2	1	noname	0.0416
4	C3     8.7184    -4.9785     0.2955	C.2	1	noname	-0.0492
5	O2     5.1201    -5.6165     0.3576	O.3	1	noname	-0.2732
6	C4     6.9522    -7.1415     0.1316	C.2	1	noname	-0.0150
7	N1     9.7504    -4.1173     0.3496	N.3	1	noname	-0.0634
8	C5     9.2073    -6.2775     0.1416	C.2	1	noname	-0.0315
9	C6     8.3393    -7.3795     0.0566	C.2	1	noname	-0.0410
10	C7    10.8924    -4.8163     0.2336	C.2	1	noname	-0.0864
11	C8    10.5924    -6.1754     0.1016	C.2	1	noname	-0.0307
12	C9    12.2234    -4.3693     0.2317	C.2	1	noname	-0.0088
13	C10    11.6064    -7.1374    -0.0382	C.2	1	noname	-0.0022
14	C11    13.2514    -5.3243     0.0918	C.2	1	noname	0.0334
15	C12    12.9464    -6.6974    -0.0422	C.2	1	noname	0.0304
16	O3    14.5405    -4.9182     0.0868	O.3	1	noname	-0.2746
17	O4    13.9494    -7.5954    -0.1761	O.3	1	noname	-0.2754
18	H1     5.8893    -3.4235     0.5585	H	1	noname	0.2183
19	H2     4.5751    -6.4285     0.2936	H	1	noname	0.2183
20	H3     6.3032    -7.9265     0.0726	H	1	noname	0.0651
21	H4     9.6783    -3.1552     0.4536	H	1	noname	0.1529
22	H5     8.7012    -8.3265    -0.0563	H	1	noname	0.0630
23	H6    12.4414    -3.3772     0.3288	H	1	noname	0.0671
24	H7    11.3793    -8.1274    -0.1352	H	1	noname	0.0658
25	H8    15.1824    -5.6532    -0.0161	H	1	noname	0.2183
26	H9    13.6553    -8.5254    -0.2661	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	1
2	1	18	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	6	1
7	4	7	1
8	4	8	2
9	5	19	1
10	6	9	2
11	6	20	1
12	7	10	1
13	7	21	1
14	8	11	1
15	8	9	1
16	9	22	1
17	10	12	1
18	10	11	2
19	11	13	1
20	12	14	2
21	12	23	1
22	13	15	2
23	13	24	1
24	14	16	1
25	14	15	1
26	15	17	1
27	16	25	1
28	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1