@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3934
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -4.4117     0.4405     1.3221	S.3	1	noname	-0.1281
2	C1    -2.7588     0.7496     0.9011	C.2	1	noname	-0.0122
3	C2    -1.8229    -0.3023     0.8312	C.2	1	noname	0.0092
4	C3    -2.3599     2.0726     0.6202	C.2	1	noname	-0.0267
5	C4    -0.4980     0.0026     0.4843	C.2	1	noname	0.0161
6	C5    -1.0259     2.3626     0.2723	C.2	1	noname	-0.0242
7	N1     0.5459    -0.8202     0.3383	N.2	1	noname	-0.2303
8	C6    -0.0920     1.3097     0.2193	C.2	1	noname	-0.0475
9	C7     1.5778    -0.0312    -0.0125	C.2	1	noname	-0.0326
10	N2     1.2228     1.2737    -0.0855	N.3	1	noname	-0.0178
11	C8     2.0628     2.3097    -0.4085	C.2	1	noname	-0.0236
12	C9     3.0287     2.1598    -1.4294	C.2	1	noname	-0.0547
13	C10     2.0047     3.5437     0.2784	C.2	1	noname	-0.0547
14	C11     3.8976     3.2128    -1.7654	C.2	1	noname	-0.0619
15	C12     2.8716     4.5988    -0.0544	C.2	1	noname	-0.0619
16	C13     3.8176     4.4339    -1.0783	C.2	1	noname	-0.0850
17	H1    -4.4168    -0.9083     1.5001	H	1	noname	0.1078
18	H2    -2.0999    -1.2652     1.0242	H	1	noname	0.0657
19	H3    -3.0459     2.8276     0.6653	H	1	noname	0.0634
20	H4    -0.7510     3.3207     0.0563	H	1	noname	0.0643
21	H5     2.5198    -0.3861    -0.1875	H	1	noname	0.1019
22	H6     3.0967     1.2809    -1.9434	H	1	noname	0.0642
23	H7     1.3376     3.6768     1.0385	H	1	noname	0.0642
24	H8     4.5856     3.0889    -2.5083	H	1	noname	0.0623
25	H9     2.8166     5.4838     0.4515	H	1	noname	0.0623
26	H10     4.4475     5.1989    -1.3203	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	17	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	18	1
7	4	6	2
8	4	19	1
9	5	7	1
10	5	8	2
11	6	8	1
12	6	20	1
13	7	9	2
14	8	10	1
15	9	10	1
16	9	21	1
17	10	11	1
18	11	12	2
19	11	13	1
20	12	14	1
21	12	22	1
22	13	15	2
23	13	23	1
24	14	16	2
25	14	24	1
26	15	16	1
27	15	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1