@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4042
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.8571    -0.7956     0.3535	S.2	1	noname	-0.1126
2	C1     0.3871     0.1094     0.4825	C.2	1	noname	0.0746
3	N1    -0.7428    -0.1705    -0.2063	N.3	1	noname	-0.1662
4	C2     0.2420     1.2813     1.3596	C.3	1	noname	0.1054
5	C3    -1.6868     0.7195     0.1436	C.2	1	noname	-0.0129
6	C4    -0.9109    -1.2334    -1.1382	C.3	1	noname	-0.0029
7	C5    -1.1589     1.6104     1.0786	C.2	1	noname	-0.0243
8	C6     1.1840     2.3584     1.0116	C.2	1	noname	0.1359
9	C7    -3.0218     0.8305    -0.2842	C.2	1	noname	-0.0360
10	C8    -1.9509     2.6354     1.6246	C.2	1	noname	-0.0450
11	O1     1.9479     2.7774     1.9096	O.2	1	noname	-0.2712
12	N2     1.2139     2.8534    -0.2562	N.3	1	noname	-0.1369
13	C9    -3.8219     1.8575     0.2527	C.2	1	noname	-0.0541
14	C10    -3.2899     2.7545     1.2027	C.2	1	noname	-0.0619
15	C11     2.0319     3.8284    -0.7321	C.2	1	noname	-0.0224
16	C12     2.4198     4.9594     0.0198	C.2	1	noname	-0.0365
17	C13     2.4728     3.7115    -2.0650	C.2	1	noname	-0.0365
18	C14     3.2528     5.9405    -0.5460	C.2	1	noname	-0.0545
19	C15     3.3048     4.6915    -2.6320	C.2	1	noname	-0.0545
20	C16     3.6967     5.8055    -1.8719	C.2	1	noname	-0.0622
21	H1     0.3600     0.9854     2.4036	H	1	noname	0.0518
22	H2    -1.1789    -0.8254    -2.1142	H	1	noname	0.0402
23	H3    -1.7069    -1.8973    -0.7972	H	1	noname	0.0402
24	H4     0.0059    -1.8153    -1.2442	H	1	noname	0.0402
25	H5    -3.4059     0.1775    -0.9681	H	1	noname	0.0639
26	H6    -1.5640     3.2815     2.3127	H	1	noname	0.0626
27	H7     0.6199     2.4325    -0.8971	H	1	noname	0.1371
28	H8    -4.7929     1.9515    -0.0451	H	1	noname	0.0623
29	H9    -3.8779     3.4935     1.5877	H	1	noname	0.0622
30	H10     2.0948     5.0765     0.9798	H	1	noname	0.0639
31	H11     2.1918     2.9065    -2.6269	H	1	noname	0.0639
32	H12     3.5327     6.7515     0.0059	H	1	noname	0.0623
33	H13     3.6227     4.5955    -3.5969	H	1	noname	0.0623
34	H14     4.3017     6.5175    -2.2829	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	4	21	1
9	5	9	1
10	5	7	2
11	6	22	1
12	6	23	1
13	6	24	1
14	7	10	1
15	8	11	2
16	8	12	1
17	9	13	2
18	9	25	1
19	10	14	2
20	10	26	1
21	12	15	1
22	12	27	1
23	13	14	1
24	13	28	1
25	14	29	1
26	15	16	2
27	15	17	1
28	16	18	1
29	16	30	1
30	17	19	2
31	17	31	1
32	18	20	2
33	18	32	1
34	19	20	1
35	19	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1