@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446539
36 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     8.6626    -6.7330    -1.8331	Cl	1	noname	-0.0740
2	C1     7.6205    -7.6950    -2.7631	C.2	1	noname	0.0112
3	C2     8.1035    -8.7450    -3.5821	C.2	1	noname	0.0225
4	C3     6.2394    -7.4209    -2.7191	C.2	1	noname	0.0085
5	N1     9.4205    -9.0580    -3.6671	N.3	1	noname	0.0247
6	C4     7.1954    -9.4830    -4.3661	C.2	1	noname	-0.0237
7	C5     5.3373    -8.1749    -3.4941	C.2	1	noname	-0.0233
8	N2    10.1365    -8.7659    -4.7151	N.2	1	noname	-0.2990
9	C6    10.1855    -9.6919    -2.7510	C.2	1	noname	0.0254
10	C7     5.8193    -9.2049    -4.3200	C.2	1	noname	-0.0208
11	Cl2     3.6802    -7.8398    -3.4350	Cl	1	noname	-0.0882
12	C8    11.4075    -9.1699    -4.5370	C.2	1	noname	0.0390
13	N3     9.9284   -10.2309    -1.5189	N.3	1	noname	0.0053
14	C9    11.4745    -9.7629    -3.2839	C.2	1	noname	0.0207
15	C10    12.4855    -8.9989    -5.5120	C.3	1	noname	0.0458
16	C11    10.9064   -10.8189    -0.7768	C.2	1	noname	-0.0094
17	C12     8.7754   -10.3119    -0.8258	C.2	1	noname	-0.0859
18	C13    12.5015   -10.3669    -2.5349	C.2	1	noname	0.0775
19	C14    12.2194   -10.8939    -1.2747	C.2	1	noname	0.0214
20	C15    10.3694   -11.2749     0.4203	C.2	1	noname	-0.0148
21	C16     9.0203   -10.9538     0.3852	C.2	1	noname	-0.0396
22	C17    13.8575   -10.5908    -2.7638	C.2	1	noname	0.0736
23	C18    13.4014   -11.4218    -0.7687	C.2	1	noname	0.0599
24	O1    14.5125   -10.2738    -3.7798	O.2	1	noname	-0.2856
25	N4    14.3635   -11.2228    -1.6877	N.3	1	noname	0.0786
26	O2    13.5564   -11.9858     0.3363	O.2	1	noname	-0.2865
27	H1     5.8873    -6.6669    -2.1250	H	1	noname	0.0654
28	H2     7.5363   -10.2319    -4.9701	H	1	noname	0.0644
29	H3     5.1772    -9.7559    -4.8920	H	1	noname	0.0638
30	H4    12.8824    -9.9739    -5.7960	H	1	noname	0.0296
31	H5    13.2814    -8.3928    -5.0769	H	1	noname	0.0296
32	H6    12.1004    -8.4978    -6.4000	H	1	noname	0.0296
33	H7     7.8623    -9.9708    -1.1267	H	1	noname	0.0796
34	H8    10.8643   -11.7568     1.1723	H	1	noname	0.0643
35	H9     8.3322   -11.1558     1.1113	H	1	noname	0.0636
36	H10    15.2875   -11.4968    -1.5897	H	1	noname	0.1407
@<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	27	1
8	5	8	1
9	5	9	1
10	6	10	2
11	6	28	1
12	7	11	1
13	7	10	1
14	8	12	2
15	9	13	1
16	9	14	2
17	10	29	1
18	12	15	1
19	12	14	1
20	13	16	1
21	13	17	1
22	14	18	1
23	15	30	1
24	15	31	1
25	15	32	1
26	16	19	1
27	16	20	2
28	17	21	2
29	17	33	1
30	18	22	1
31	18	19	2
32	19	23	1
33	20	21	1
34	20	34	1
35	21	35	1
36	22	24	2
37	22	25	1
38	23	26	2
39	23	25	1
40	25	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1