@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442799
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     4.5816    -5.6410    -2.0246	Cl	1	noname	-0.0783
2	C1     5.5325    -4.6739    -1.0006	C.2	1	noname	-0.0008
3	C2     5.0795    -3.5938    -0.1675	C.2	1	noname	0.0178
4	C3     6.8945    -5.0429    -1.0335	C.2	1	noname	-0.0256
5	N1     3.7514    -3.1218    -0.0415	N.3	1	noname	0.0754
6	C4     6.0825    -2.9327     0.6094	C.2	1	noname	-0.0228
7	C5     7.8415    -4.3708    -0.2575	C.2	1	noname	-0.0633
8	C6     3.4224    -2.0587     0.8025	C.2	1	noname	0.0443
9	C7     2.6954    -3.6577    -0.7284	C.2	1	noname	-0.0158
10	C8     5.7494    -1.8606     1.4615	C.2	1	noname	0.0138
11	C9     7.4375    -3.3177     0.5625	C.2	1	noname	-0.0443
12	N2     2.1793    -1.6166     0.9216	N.2	1	noname	-0.1409
13	C10     4.4323    -1.4166     1.5666	C.2	1	noname	0.0646
14	C11     2.3273    -3.1357    -1.9864	C.2	1	noname	-0.0140
15	C12     1.9253    -4.6927    -0.1564	C.2	1	noname	-0.0438
16	C13     1.8083    -0.6125     1.7056	C.2	1	noname	0.1143
17	C14     4.0413    -0.3435     2.4056	C.2	1	noname	0.0817
18	C15     1.2162    -3.6576    -2.6774	C.2	1	noname	-0.0118
19	C16     0.8162    -5.2137    -0.8433	C.2	1	noname	-0.0501
20	O1     0.6112    -0.2605     1.7567	O.2	1	noname	-0.2481
21	N3     2.7382     0.0294     2.4527	N.3	1	noname	0.1044
22	O2     4.8643     0.2784     3.1127	O.2	1	noname	-0.2831
23	Cl2     0.7882    -3.0336    -4.1894	Cl	1	noname	-0.0835
24	C17     0.4632    -4.6996    -2.1023	C.2	1	noname	-0.0409
25	H1     7.2185    -5.8118    -1.6245	H	1	noname	0.0638
26	H2     8.8235    -4.6488    -0.2904	H	1	noname	0.0623
27	H3     6.4774    -1.3976     2.0126	H	1	noname	0.0638
28	H4     8.1404    -2.8336     1.1266	H	1	noname	0.0629
29	H5     2.8743    -2.3756    -2.3933	H	1	noname	0.0655
30	H6     2.1732    -5.0657     0.7606	H	1	noname	0.0639
31	H7     0.2662    -5.9647    -0.4263	H	1	noname	0.0623
32	H8     2.4692     0.7635     3.0247	H	1	noname	0.1424
33	H9    -0.3448    -5.0866    -2.5923	H	1	noname	0.0638
@<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	1
32	18	24	2
33	19	24	1
34	19	31	1
35	21	32	1
36	24	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1