@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442792
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    17.1259   -11.6266    -3.2874	Cl	1	noname	-0.0894
2	C1    18.2579   -10.5815    -2.5873	C.2	1	noname	-0.0266
3	C2    18.4728    -9.3035    -3.1343	C.2	1	noname	-0.0246
4	C3    18.9858   -10.9865    -1.4533	C.2	1	noname	-0.0246
5	C4    19.4148    -8.4384    -2.5532	C.2	1	noname	-0.0357
6	C5    19.9258   -10.1184    -0.8732	C.2	1	noname	-0.0357
7	C6    20.1618    -8.8384    -1.4212	C.2	1	noname	-0.0202
8	N1    21.0717    -7.9954    -0.8221	N.3	1	noname	0.0824
9	C7    20.5336    -6.8793    -0.1761	C.2	1	noname	0.0453
10	C8    22.4447    -8.3213    -0.7081	C.2	1	noname	0.0674
11	N2    19.2656    -6.5282    -0.3201	N.2	1	noname	-0.1408
12	C9    21.3436    -6.0932     0.6879	C.2	1	noname	0.0649
13	C10    23.1267    -9.3583    -1.4340	C.2	1	noname	0.0417
14	C11    23.2077    -7.6003     0.2629	C.2	1	noname	-0.0071
15	C12    18.6995    -5.4832     0.2679	C.2	1	noname	0.1143
16	C13    20.7456    -4.9742     1.3169	C.2	1	noname	0.0817
17	C14    22.6626    -6.4812     0.9210	C.2	1	noname	0.0157
18	N3    22.6966    -9.9202    -2.6150	N.2	1	noname	-0.0119
19	C15    24.4016    -9.7872    -0.9890	C.2	1	noname	0.0268
20	C16    24.5106    -7.9952     0.6199	C.2	1	noname	-0.0142
21	O1    17.4934    -5.2231     0.0710	O.2	1	noname	-0.2481
22	N4    19.4385    -4.6961     1.0860	N.3	1	noname	0.1044
23	O2    21.3836    -4.2311     2.0950	O.2	1	noname	-0.2831
24	O3    23.1876   -10.9172    -3.0780	O.2	1	noname	-0.1434
25	O4    21.9505    -9.3542    -3.3610	O.3	1	noname	-0.1434
26	C17    25.0876    -9.1182     0.0270	C.2	1	noname	-0.0473
27	H1    17.9488    -8.9944    -3.9552	H	1	noname	0.0638
28	H2    18.8358   -11.9095    -1.0432	H	1	noname	0.0638
29	H3    19.5638    -7.5134    -2.9592	H	1	noname	0.0640
30	H4    20.4418   -10.4204    -0.0461	H	1	noname	0.0640
31	H5    23.2296    -5.9511     1.5880	H	1	noname	0.0638
32	H6    24.8766   -10.5582    -1.4600	H	1	noname	0.0647
33	H7    25.0366    -7.4842     1.3320	H	1	noname	0.0629
34	H8    19.0265    -3.9321     1.5170	H	1	noname	0.1424
35	H9    26.0216    -9.4232     0.3050	H	1	noname	0.0623
@<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	19	1
24	14	20	2
25	14	17	1
26	15	21	2
27	15	22	1
28	16	23	2
29	16	22	1
30	17	31	1
31	18	24	2
32	18	25	1
33	19	26	2
34	19	32	1
35	20	26	1
36	20	33	1
37	22	34	1
38	26	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1