@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440163
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    23.0791   -14.6782     1.5334	S.3	1	noname	-0.1962
2	C1    22.6530   -16.3271     1.2015	C.2	1	noname	0.0693
3	C2    24.6860   -15.2341     1.8495	C.2	1	noname	0.0469
4	N1    23.6710   -17.1961     1.3336	N.2	1	noname	-0.2172
5	C3    21.3510   -16.7131     0.8216	C.2	1	noname	-0.0264
6	C4    24.8190   -16.6111     1.6996	C.2	1	noname	0.0320
7	C5    25.7740   -14.3231     2.2125	C.3	1	noname	0.0341
8	C6    20.3259   -15.7480     0.7106	C.2	1	noname	-0.0078
9	C7    21.0419   -18.0640     0.5446	C.2	1	noname	-0.0078
10	C8    26.0629   -17.3600     1.8936	C.3	1	noname	0.0447
11	C9    19.0248   -16.1230     0.3327	C.2	1	noname	0.0025
12	C10    19.7418   -18.4400     0.1666	C.2	1	noname	0.0025
13	S2    26.5909   -17.2539     3.6157	S.3	1	noname	-0.0320
14	C11    18.7308   -17.4699     0.0607	C.2	1	noname	0.0373
15	C12    28.0738   -18.1499     3.6567	C.2	1	noname	0.0777
16	F1    17.5248   -17.8169    -0.2902	F	1	noname	-0.1640
17	N2    28.5747   -18.7278     2.5388	N.2	1	noname	-0.2615
18	N3    28.7487   -18.2739     4.8238	N.2	1	noname	-0.2615
19	C13    29.7327   -19.4268     2.5599	C.2	1	noname	0.0379
20	C14    29.9117   -18.9629     4.9008	C.2	1	noname	0.0379
21	N4    30.1817   -19.9778     1.4249	N.3	1	noname	-0.1151
22	C15    30.4476   -19.5697     3.7569	C.2	1	noname	-0.0235
23	N5    30.5386   -19.0558     6.0799	N.3	1	noname	-0.1151
24	H1    25.3989   -13.3000     2.2336	H	1	noname	0.0288
25	H2    26.1619   -14.5790     3.1986	H	1	noname	0.0288
26	H3    26.5759   -14.3940     1.4766	H	1	noname	0.0288
27	H4    20.5158   -14.7630     0.9036	H	1	noname	0.0631
28	H5    21.7629   -18.7839     0.6156	H	1	noname	0.0631
29	H6    26.8399   -16.9539     1.2457	H	1	noname	0.0451
30	H7    25.9008   -18.4090     1.6397	H	1	noname	0.0451
31	H8    18.2948   -15.4130     0.2577	H	1	noname	0.0653
32	H9    19.5348   -19.4199    -0.0292	H	1	noname	0.0653
33	H10    31.0086   -20.4827     1.4210	H	1	noname	0.1257
34	H11    29.6746   -19.8697     0.6050	H	1	noname	0.1257
35	H12    31.3226   -20.0937     3.7940	H	1	noname	0.0689
36	H13    30.1556   -18.6308     6.8629	H	1	noname	0.1257
37	H14    31.3726   -19.5458     6.1530	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	6	1
8	5	8	2
9	5	9	1
10	6	10	1
11	7	24	1
12	7	25	1
13	7	26	1
14	8	11	1
15	8	27	1
16	9	12	2
17	9	28	1
18	10	13	1
19	10	29	1
20	10	30	1
21	11	14	2
22	11	31	1
23	12	14	1
24	12	32	1
25	13	15	1
26	14	16	1
27	15	17	2
28	15	18	1
29	17	19	1
30	18	20	2
31	19	21	1
32	19	22	2
33	20	23	1
34	20	22	1
35	21	33	1
36	21	34	1
37	22	35	1
38	23	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1