@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444447
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    19.8005    -4.2077     0.8048	S.3	1	noname	-0.1442
2	C1    18.8914    -2.7496     0.5838	C.2	1	noname	0.1268
3	C2    21.2205    -3.2216     0.9028	C.2	1	noname	0.0674
4	N1    19.6264    -1.6305     0.5849	N.2	1	noname	-0.1841
5	N2    17.5533    -2.6866     0.4218	N.3	1	noname	-0.0921
6	C3    22.4695    -3.8236     1.1059	C.2	1	noname	0.1664
7	C4    20.9344    -1.8595     0.7598	C.2	1	noname	0.0816
8	C5    16.7193    -3.7486     0.4049	C.2	1	noname	0.1373
9	O1    23.6695    -3.2135     1.2139	O.3	1	noname	-0.2892
10	N3    22.6415    -5.1466     1.2259	N.2	1	noname	-0.1350
11	C6    21.8684    -0.7254     0.7798	C.3	1	noname	0.0488
12	O2    17.1162    -4.9285     0.5369	O.2	1	noname	-0.2752
13	C7    15.2882    -3.5075     0.2229	C.3	1	noname	0.0099
14	N4    24.5754    -4.1305     1.3970	N.2	1	noname	-0.1289
15	C8    23.9574    -5.3225     1.4070	C.2	1	noname	0.1281
16	C9    24.6124    -6.6355     1.5850	C.3	1	noname	0.0994
17	C10    26.1354    -6.4805     1.7801	C.3	1	noname	-0.0529
18	C11    24.0283    -7.3455     2.8231	C.3	1	noname	-0.0529
19	C12    24.3643    -7.5125     0.3400	C.3	1	noname	-0.0529
20	H1    17.1612    -1.8075     0.3099	H	1	noname	0.1394
21	H2    21.5874    -0.0483     1.5869	H	1	noname	0.0296
22	H3    21.7994    -0.1924    -0.1680	H	1	noname	0.0296
23	H4    22.8994    -1.0354     0.9299	H	1	noname	0.0296
24	H5    15.1211    -3.0024    -0.7280	H	1	noname	0.0324
25	H6    14.9181    -2.8804     1.0350	H	1	noname	0.0324
26	H7    14.7451    -4.4535     0.2260	H	1	noname	0.0324
27	H8    26.5943    -7.4625     1.9061	H	1	noname	0.0240
28	H9    26.5794    -5.9944     0.9091	H	1	noname	0.0240
29	H10    26.3413    -5.8794     2.6672	H	1	noname	0.0240
30	H11    24.5123    -8.3145     2.9552	H	1	noname	0.0240
31	H12    24.1973    -6.7425     3.7172	H	1	noname	0.0240
32	H13    22.9562    -7.5035     2.6971	H	1	noname	0.0240
33	H14    24.8483    -8.4815     0.4701	H	1	noname	0.0240
34	H15    23.2933    -7.6715     0.1981	H	1	noname	0.0240
35	H16    24.7743    -7.0294    -0.5478	H	1	noname	0.0240
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	7	1
8	5	8	1
9	5	20	1
10	6	9	1
11	6	10	2
12	7	11	1
13	8	12	2
14	8	13	1
15	9	14	1
16	10	15	1
17	11	21	1
18	11	22	1
19	11	23	1
20	13	24	1
21	13	25	1
22	13	26	1
23	14	15	2
24	15	16	1
25	16	17	1
26	16	18	1
27	16	19	1
28	17	27	1
29	17	28	1
30	17	29	1
31	18	30	1
32	18	31	1
33	18	32	1
34	19	33	1
35	19	34	1
36	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1