@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442793
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    13.3577   -16.3238     7.5307	Cl	1	noname	-0.0895
2	C1    14.2067   -16.6878     6.1137	C.2	1	noname	-0.0275
3	C2    15.6148   -16.7158     6.1207	C.2	1	noname	-0.0248
4	C3    13.5086   -16.9638     4.9226	C.2	1	noname	-0.0248
5	C4    16.3198   -17.0167     4.9427	C.2	1	noname	-0.0366
6	C5    14.2156   -17.2638     3.7456	C.2	1	noname	-0.0366
7	C6    15.6247   -17.2927     3.7477	C.2	1	noname	-0.0204
8	N1    16.3127   -17.5787     2.5976	N.3	1	noname	0.0715
9	C7    16.6767   -16.5166     1.7786	C.2	1	noname	0.0432
10	C8    16.6377   -18.8958     2.2596	C.2	1	noname	0.0201
11	N2    16.3736   -15.2674     2.0897	N.2	1	noname	-0.1410
12	C9    17.3947   -16.7635     0.5725	C.2	1	noname	0.0647
13	C10    17.3547   -19.1537     1.0586	C.2	1	noname	-0.0033
14	C11    16.2866   -20.0098     3.0618	C.2	1	noname	-0.0166
15	C12    16.6956   -14.2173     1.3457	C.2	1	noname	0.1143
16	C13    17.7367   -15.6414    -0.2194	C.2	1	noname	0.0817
17	C14    17.7257   -18.0776     0.2266	C.2	1	noname	0.0162
18	C15    17.6967   -20.4708     0.6916	C.2	1	noname	0.0401
19	C16    16.6316   -21.3178     2.6888	C.2	1	noname	0.0298
20	O1    16.3725   -13.0662     1.7078	O.2	1	noname	-0.2481
21	N3    17.3776   -14.3973     0.1886	N.3	1	noname	0.1044
22	O2    18.3657   -15.7574    -1.2954	O.2	1	noname	-0.2831
23	C17    17.3426   -21.5729     1.4977	C.2	1	noname	0.0206
24	N4    17.6776   -22.8499     1.1367	N.2	1	noname	-0.0197
25	O3    18.2826   -23.0849     0.1247	O.2	1	noname	-0.1452
26	O4    17.3815   -23.8019     1.8148	O.3	1	noname	-0.1452
27	H1    16.1338   -16.5157     6.9778	H	1	noname	0.0638
28	H2    12.4885   -16.9458     4.9037	H	1	noname	0.0638
29	H3    17.3399   -17.0327     4.9547	H	1	noname	0.0640
30	H4    13.7025   -17.4607     2.8846	H	1	noname	0.0640
31	H5    15.7725   -19.8787     3.9329	H	1	noname	0.0640
32	H6    18.2407   -18.2556    -0.6394	H	1	noname	0.0638
33	H7    18.2126   -20.6368    -0.1753	H	1	noname	0.0653
34	H8    16.3585   -22.0938     3.2949	H	1	noname	0.0647
35	H9    17.6116   -13.6292    -0.3533	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	27	1
6	4	6	2
7	4	28	1
8	5	7	2
9	5	29	1
10	6	7	1
11	6	30	1
12	7	8	1
13	8	9	1
14	8	10	1
15	9	11	2
16	9	12	1
17	10	13	2
18	10	14	1
19	11	15	1
20	12	16	1
21	12	17	2
22	13	18	1
23	13	17	1
24	14	19	2
25	14	31	1
26	15	20	2
27	15	21	1
28	16	22	2
29	16	21	1
30	17	32	1
31	18	23	2
32	18	33	1
33	19	23	1
34	19	34	1
35	21	35	1
36	23	24	1
37	24	25	2
38	24	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1