@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3958
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.0738     0.1777    -4.3606	S.2	1	noname	-0.1173
2	C1    -4.9609     0.5137    -2.6676	C.2	1	noname	0.0672
3	N1    -4.7809    -0.4341    -1.7335	N.3	1	noname	-0.1749
4	C2    -5.0479     1.8678    -2.0915	C.3	1	noname	0.0406
5	C3    -4.7520     0.1358    -0.5294	C.2	1	noname	-0.0165
6	C4    -4.9160     1.5129    -0.6715	C.2	1	noname	-0.0291
7	C5    -3.9210     2.7819    -2.6255	C.3	1	noname	0.0464
8	C6    -4.6020    -0.4590     0.7336	C.2	1	noname	-0.0379
9	C7    -4.9480     2.3459     0.4605	C.2	1	noname	-0.0477
10	C8    -4.0421     4.1240    -2.1264	C.2	1	noname	0.1395
11	C9    -4.6221     0.3720     1.8716	C.2	1	noname	-0.0547
12	C10    -4.7970     1.7659     1.7356	C.2	1	noname	-0.0631
13	O1    -3.1361     4.6010    -1.4573	O.2	1	noname	-0.2541
14	O2    -5.1531     4.8080    -2.3873	O.3	1	noname	-0.2093
15	C11    -5.3172     6.1191    -1.8443	C.3	1	noname	0.0453
16	H1    -4.7000    -1.3841    -1.9094	H	1	noname	0.1347
17	H2    -6.0300     2.2979    -2.2965	H	1	noname	0.0427
18	H3    -2.9460     2.3729    -2.3504	H	1	noname	0.0383
19	H4    -3.9821     2.8260    -3.7144	H	1	noname	0.0383
20	H5    -4.4821    -1.4680     0.8257	H	1	noname	0.0639
21	H6    -5.0781     3.3530     0.3636	H	1	noname	0.0626
22	H7    -4.5131    -0.0379     2.7997	H	1	noname	0.0623
23	H8    -4.8131     2.3570     2.5677	H	1	noname	0.0622
24	H9    -6.2802     6.5181    -2.1612	H	1	noname	0.0536
25	H10    -5.2892     6.0772    -0.7542	H	1	noname	0.0536
26	H11    -4.5233     6.7751    -2.2043	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	16	1
6	4	6	1
7	4	7	1
8	4	17	1
9	5	8	1
10	5	6	2
11	6	9	1
12	7	10	1
13	7	18	1
14	7	19	1
15	8	11	2
16	8	20	1
17	9	12	2
18	9	21	1
19	10	13	2
20	10	14	1
21	11	12	1
22	11	22	1
23	12	23	1
24	14	15	1
25	15	24	1
26	15	25	1
27	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1