@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4091
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.1264    -5.5617     0.3469	O.3	1	noname	-0.2734
2	C1     6.4554    -5.8037     0.2780	C.2	1	noname	0.0405
3	C2     6.9543    -7.1206     0.1290	C.2	1	noname	0.0306
4	C3     7.3403    -4.7086     0.3580	C.2	1	noname	-0.0150
5	O2     6.1193    -8.1815     0.0480	O.3	1	noname	-0.2755
6	C4     8.3433    -7.3545     0.0591	C.2	1	noname	-0.0025
7	C5     8.7202    -4.9526     0.2880	C.2	1	noname	-0.0830
8	C6     9.2102    -6.2525     0.1411	C.2	1	noname	-0.0309
9	N1     9.7512    -4.0906     0.3401	N.3	1	noname	-0.0733
10	C7    10.5952    -6.1494     0.1031	C.2	1	noname	-0.0309
11	C8    10.8941    -4.7905     0.2301	C.2	1	noname	-0.0830
12	C9    11.6091    -7.1124    -0.0297	C.2	1	noname	-0.0025
13	C10    12.2241    -4.3435     0.2292	C.2	1	noname	-0.0150
14	C11    12.9481    -6.6723    -0.0337	C.2	1	noname	0.0306
15	C12    13.2530    -5.2974     0.0952	C.2	1	noname	0.0405
16	O3    13.9520    -7.5693    -0.1617	O.3	1	noname	-0.2755
17	O4    14.5419    -4.8924     0.0892	O.3	1	noname	-0.2734
18	H1     4.5534    -6.3526     0.2980	H	1	noname	0.2183
19	H2     6.9852    -3.7576     0.4650	H	1	noname	0.0671
20	H3     5.1662    -7.9685     0.0921	H	1	noname	0.2183
21	H4     8.7072    -8.3015    -0.0478	H	1	noname	0.0658
22	H5     9.6821    -3.1285     0.4391	H	1	noname	0.1528
23	H6    11.3831    -8.1033    -0.1227	H	1	noname	0.0658
24	H7    12.4410    -3.3504     0.3222	H	1	noname	0.0671
25	H8    13.6590    -8.5003    -0.2496	H	1	noname	0.2183
26	H9    15.1829    -5.6273    -0.0086	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	2
8	4	19	1
9	5	20	1
10	6	8	2
11	6	21	1
12	7	9	1
13	7	8	1
14	8	10	1
15	9	11	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