@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445938
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    10.2654    -5.9936     1.3875	Cl	1	noname	-0.0372
2	C1    10.7864    -6.7087    -0.0674	C.2	1	noname	0.1061
3	C2    12.1925    -6.8846    -0.2254	C.2	1	noname	0.1533
4	C3     9.9133    -7.0716    -1.1234	C.2	1	noname	0.0347
5	O1    12.9955    -6.5636     0.6846	O.2	1	noname	-0.2541
6	N1    12.6584    -7.4076    -1.4104	N.3	1	noname	-0.0805
7	N2     8.5262    -6.9806    -1.0604	N.3	1	noname	0.0498
8	C4    10.5423    -7.5976    -2.2864	C.2	1	noname	0.0625
9	N3    11.8483    -7.7276    -2.3484	N.2	1	noname	-0.1868
10	C5    13.9825    -7.6136    -1.6474	C.2	1	noname	-0.0077
11	N4     7.8751    -6.8865     0.0606	N.2	1	noname	-0.2138
12	C6     7.5851    -6.9876    -2.0414	C.2	1	noname	0.0231
13	C7    14.6945    -8.5996    -0.9333	C.2	1	noname	-0.0185
14	C8    14.6565    -6.8485    -2.6224	C.2	1	noname	-0.0185
15	N5     6.5950    -6.8515    -0.0942	N.2	1	noname	-0.1374
16	C9     6.3449    -6.9205    -1.4043	C.2	1	noname	0.0847
17	C10     7.7940    -6.9495    -3.5015	C.3	1	noname	0.0376
18	C11    16.0615    -8.8116    -1.1833	C.2	1	noname	-0.0491
19	C12    16.0225    -7.0625    -2.8744	C.2	1	noname	-0.0491
20	C13     5.0418    -6.9274    -1.9383	C.2	1	noname	0.1454
21	C14    16.7255    -8.0425    -2.1543	C.2	1	noname	-0.0511
22	O2     4.8338    -7.0394    -3.1664	O.2	1	noname	-0.2825
23	C15     3.8757    -6.8274    -1.0522	C.3	1	noname	0.0008
24	H1    10.0032    -7.9266    -3.0805	H	1	noname	0.0874
25	H2    14.2184    -9.1616    -0.2262	H	1	noname	0.0640
26	H3    14.1514    -6.1354    -3.1494	H	1	noname	0.0640
27	H4     6.9159    -6.5744    -4.0234	H	1	noname	0.0294
28	H5     8.6200    -6.2774    -3.7344	H	1	noname	0.0294
29	H6     8.0140    -7.9515    -3.8685	H	1	noname	0.0294
30	H7    16.5705    -9.5246    -0.6602	H	1	noname	0.0623
31	H8    16.5045    -6.5044    -3.5804	H	1	noname	0.0623
32	H9    17.7176    -8.1974    -2.3363	H	1	noname	0.0622
33	H10     2.9576    -6.8594    -1.6392	H	1	noname	0.0314
34	H11     3.8766    -7.6594    -0.3472	H	1	noname	0.0314
35	H12     3.9126    -5.8863    -0.5012	H	1	noname	0.0314
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	7	12	1
12	8	9	2
13	8	24	1
14	10	13	2
15	10	14	1
16	11	15	2
17	12	16	2
18	12	17	1
19	13	18	1
20	13	25	1
21	14	19	2
22	14	26	1
23	15	16	1
24	16	20	1
25	17	27	1
26	17	28	1
27	17	29	1
28	18	21	2
29	18	30	1
30	19	21	1
31	19	31	1
32	20	22	2
33	20	23	1
34	21	32	1
35	23	33	1
36	23	34	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1