@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448039
20 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     7.1001    -3.9401    -2.6255	Cl	1	noname	-0.0372
2	C1     8.0391    -4.2581    -1.2585	C.2	1	noname	0.0673
3	N1     7.7010    -5.2971    -0.4494	N.2	1	noname	-0.2177
4	C2     9.1560    -3.4590    -0.9574	C.2	1	noname	0.0548
5	C3     8.4090    -5.6091     0.6646	C.2	1	noname	-0.0256
6	C4     9.8700    -3.8020     0.1965	C.2	1	noname	-0.0031
7	N2     9.4890    -4.8460     0.9656	N.3	1	noname	-0.0015
8	N3    10.9660    -3.1979     0.6926	N.2	1	noname	-0.2158
9	C5    10.3570    -4.9210     1.9847	C.2	1	noname	-0.0473
10	C6    11.2760    -3.8869     1.8036	C.2	1	noname	0.0124
11	C7    10.4529    -5.7980     3.0787	C.2	1	noname	-0.0315
12	C8    12.3279    -3.6889     2.7117	C.2	1	noname	-0.0101
13	C9    11.5059    -5.6069     3.9968	C.2	1	noname	-0.0470
14	C10    12.4359    -4.5608     3.8148	C.2	1	noname	-0.0438
15	H1     9.4380    -2.6720    -1.5424	H	1	noname	0.0692
16	H2     8.1310    -6.3960     1.2536	H	1	noname	0.1020
17	H3     9.7789    -6.5519     3.2078	H	1	noname	0.0643
18	H4    12.9979    -2.9318     2.5758	H	1	noname	0.0645
19	H5    11.5959    -6.2309     4.7998	H	1	noname	0.0623
20	H6    13.1939    -4.4348     4.4868	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	4	6	1
6	4	15	1
7	5	7	1
8	5	16	1
9	6	8	2
10	6	7	1
11	7	9	1
12	8	10	1
13	9	11	1
14	9	10	2
15	10	12	1
16	11	13	2
17	11	17	1
18	12	14	2
19	12	18	1
20	13	14	1
21	13	19	1
22	14	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
