@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441056
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.9307   -13.7157    -0.8867	S.3	1	noname	-0.1675
2	C1     8.6047   -13.4626    -0.5316	C.2	1	noname	0.0354
3	C2     6.6357   -12.8796     0.6114	C.2	1	noname	0.0364
4	N1     9.7437   -13.7836    -1.1616	N.2	1	noname	-0.1912
5	N2     8.8627   -12.8215     0.5924	N.3	1	noname	0.0430
6	C3     7.7817   -12.4635     1.2874	C.2	1	noname	-0.0463
7	C4    10.7568   -13.3175    -0.3915	C.2	1	noname	0.0422
8	C5    10.1837   -12.7035     0.7315	C.2	1	noname	-0.0360
9	C6    12.1338   -13.4624    -0.7214	C.2	1	noname	0.0069
10	C7    13.1918   -12.9063     0.0446	C.2	1	noname	0.0104
11	C8    12.4748   -14.2004    -1.8814	C.2	1	noname	0.0031
12	O1    12.9747   -12.1782     1.1636	O.3	1	noname	-0.2829
13	C9    14.5318   -13.0903    -0.3433	C.2	1	noname	-0.0149
14	C10    13.8128   -14.3823    -2.2664	C.2	1	noname	-0.0068
15	C11    14.8437   -13.8263    -1.4953	C.2	1	noname	-0.0142
16	O2    14.0998   -15.0933    -3.3794	O.3	1	noname	-0.2875
17	H1     5.6946   -12.7085     0.9674	H	1	noname	0.0754
18	H2     7.7896   -11.9614     2.1765	H	1	noname	0.0804
19	H3    10.6646   -12.2564     1.5116	H	1	noname	0.0819
20	H4    11.7437   -14.6164    -2.4614	H	1	noname	0.0658
21	H5    13.7857   -11.8442     1.6017	H	1	noname	0.2182
22	H6    15.2847   -12.6852     0.2137	H	1	noname	0.0651
23	H7    15.8177   -13.9542    -1.7703	H	1	noname	0.0650
24	H8    15.0558   -15.1743    -3.5784	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	17	1
7	4	7	1
8	5	8	1
9	5	6	1
10	6	18	1
11	7	9	1
12	7	8	2
13	8	19	1
14	9	10	2
15	9	11	1
16	10	12	1
17	10	13	1
18	11	14	2
19	11	20	1
20	12	21	1
21	13	15	2
22	13	22	1
23	14	16	1
24	14	15	1
25	15	23	1
26	16	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1