@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440171
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    21.4021    -9.7483    -1.0901	S.3	1	noname	-0.1832
2	C1    19.9390    -9.8833    -0.1640	C.2	1	noname	0.0854
3	C2    21.2990    -8.0403    -0.8490	C.2	1	noname	0.0454
4	N1    19.4469    -8.7072     0.2710	N.2	1	noname	-0.2149
5	C3    19.3309   -11.1253     0.1090	C.2	1	noname	-0.0352
6	C4    20.1939    -7.6602    -0.1019	C.2	1	noname	0.0421
7	C5    18.1369   -11.2062     0.8590	C.2	1	noname	-0.0134
8	C6    19.9119   -12.3212    -0.3649	C.2	1	noname	-0.0134
9	C7    19.8779    -6.2741     0.2490	C.3	1	noname	0.0444
10	C8    17.5438   -12.4512     1.1331	C.2	1	noname	-0.0195
11	C9    19.3168   -13.5642    -0.0908	C.2	1	noname	-0.0195
12	S2    19.6308    -5.3031    -1.2498	S.3	1	noname	-0.0332
13	C10    18.1318   -13.6422     0.6601	C.2	1	noname	0.0161
14	C11    19.3128    -3.7000    -0.6717	C.2	1	noname	0.0882
15	O1    17.6187   -14.8872     0.8872	O.3	1	noname	-0.2757
16	N2    19.2967    -3.4229     0.6552	N.2	1	noname	-0.2053
17	N3    19.0777    -2.7019    -1.5577	N.2	1	noname	-0.2053
18	C12    16.4246   -15.0991     1.6463	C.3	1	noname	0.0423
19	C13    19.0507    -2.1728     1.1173	C.2	1	noname	0.0192
20	C14    18.8257    -1.4348    -1.1506	C.2	1	noname	0.0192
21	C15    18.8036    -1.1287     0.2163	C.2	1	noname	0.0005
22	H1    21.9830    -7.3802    -1.2190	H	1	noname	0.0759
23	H2    17.6908   -10.3592     1.2151	H	1	noname	0.0630
24	H3    20.7739   -12.3002    -0.9118	H	1	noname	0.0630
25	H4    20.6999    -5.8501     0.8281	H	1	noname	0.0451
26	H5    18.9678    -6.2451     0.8501	H	1	noname	0.0451
27	H6    16.6828   -12.4832     1.6792	H	1	noname	0.0650
28	H7    19.7527   -14.4192    -0.4387	H	1	noname	0.0650
29	H8    16.2226   -16.1691     1.6923	H	1	noname	0.0535
30	H9    16.5496   -14.7210     2.6623	H	1	noname	0.0535
31	H10    15.5796   -14.6001     1.1693	H	1	noname	0.0535
32	H11    19.0446    -1.9947     2.1214	H	1	noname	0.0840
33	H12    18.6506    -0.7037    -1.8406	H	1	noname	0.0840
34	H13    18.6145    -0.1806     0.5444	H	1	noname	0.0655
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	22	1
7	4	6	1
8	5	7	2
9	5	8	1
10	6	9	1
11	7	10	1
12	7	23	1
13	8	11	2
14	8	24	1
15	9	12	1
16	9	25	1
17	9	26	1
18	10	13	2
19	10	27	1
20	11	13	1
21	11	28	1
22	12	14	1
23	13	15	1
24	14	16	2
25	14	17	1
26	15	18	1
27	16	19	1
28	17	20	2
29	18	29	1
30	18	30	1
31	18	31	1
32	19	21	2
33	19	32	1
34	20	21	1
35	20	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1