@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442800
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    30.4923   -28.6069    -1.3201	Cl	1	noname	-0.0783
2	C1    32.0853   -28.2868    -0.8200	C.2	1	noname	-0.0008
3	C2    32.6783   -26.9957    -0.6040	C.2	1	noname	0.0178
4	C3    32.8283   -29.4698    -0.6180	C.2	1	noname	-0.0256
5	N1    32.0512   -25.7366    -0.7689	N.3	1	noname	0.0744
6	C4    34.0443   -26.9927    -0.1779	C.2	1	noname	-0.0229
7	C5    34.1603   -29.4218    -0.2029	C.2	1	noname	-0.0634
8	C6    32.7262   -24.5385    -0.5249	C.2	1	noname	0.0441
9	C7    30.7531   -25.5926    -1.1799	C.2	1	noname	-0.0203
10	C8    34.7242   -25.7826     0.0650	C.2	1	noname	0.0138
11	C9    34.7683   -28.1847     0.0170	C.2	1	noname	-0.0443
12	N2    32.1401   -23.3604    -0.6758	N.2	1	noname	-0.1409
13	C10    34.0811   -24.5565    -0.1028	C.2	1	noname	0.0646
14	C11    29.7100   -25.5075    -0.2328	C.2	1	noname	-0.0362
15	C12    30.4510   -25.4635    -2.5519	C.2	1	noname	-0.0362
16	C13    32.7301   -22.1923    -0.4598	C.2	1	noname	0.1143
17	C14    34.7161   -23.3114     0.1271	C.2	1	noname	0.0817
18	C15    28.3819   -25.3214    -0.6538	C.2	1	noname	-0.0247
19	C16    29.1229   -25.2775    -2.9729	C.2	1	noname	-0.0247
20	O1    32.1000   -21.1263    -0.6257	O.2	1	noname	-0.2481
21	N3    34.0220   -22.1613    -0.0567	N.3	1	noname	0.1044
22	O2    35.9081   -23.2343     0.4992	O.2	1	noname	-0.2831
23	C17    28.0848   -25.2084    -2.0248	C.2	1	noname	-0.0271
24	Cl2    26.4867   -24.9823    -2.5318	Cl	1	noname	-0.0894
25	H1    32.4072   -30.3888    -0.7720	H	1	noname	0.0638
26	H2    34.6853   -30.2848    -0.0608	H	1	noname	0.0623
27	H3    35.7012   -25.7945     0.3681	H	1	noname	0.0638
28	H4    35.7443   -28.1636     0.3221	H	1	noname	0.0629
29	H5    29.9190   -25.5825     0.7631	H	1	noname	0.0640
30	H6    31.1990   -25.5065    -3.2449	H	1	noname	0.0640
31	H7    27.6388   -25.2674     0.0441	H	1	noname	0.0638
32	H8    28.9218   -25.1914    -3.9709	H	1	noname	0.0638
33	H9    34.4550   -21.3092     0.1003	H	1	noname	0.1424
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	25	1
8	5	8	1
9	5	9	1
10	6	10	1
11	6	11	2
12	7	11	1
13	7	26	1
14	8	12	2
15	8	13	1
16	9	14	2
17	9	15	1
18	10	13	2
19	10	27	1
20	11	28	1
21	12	16	1
22	13	17	1
23	14	18	1
24	14	29	1
25	15	19	2
26	15	30	1
27	16	20	2
28	16	21	1
29	17	22	2
30	17	21	1
31	18	23	2
32	18	31	1
33	19	23	1
34	19	32	1
35	21	33	1
36	23	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1