@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442797
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    13.6931    -6.1281     4.5498	Cl	1	noname	-0.0895
2	C1    14.8800    -5.4571     3.5499	C.2	1	noname	-0.0276
3	C2    15.4229    -4.1931     3.8459	C.2	1	noname	-0.0248
4	C3    15.3309    -6.1621     2.4169	C.2	1	noname	-0.0248
5	C4    16.4109    -3.6371     3.0160	C.2	1	noname	-0.0367
6	C5    16.3189    -5.6050     1.5870	C.2	1	noname	-0.0367
7	C6    16.8658    -4.3400     1.8821	C.2	1	noname	-0.0204
8	N1    17.8288    -3.7970     1.0721	N.3	1	noname	0.0681
9	C7    17.4127    -2.9940     0.0172	C.2	1	noname	0.0429
10	C8    19.1857    -4.0429     1.3011	C.2	1	noname	-0.0151
11	N2    16.1317    -2.7559    -0.2087	N.2	1	noname	-0.1411
12	C9    18.3776    -2.4060    -0.8517	C.2	1	noname	0.0642
13	C10    20.1576    -3.4619     0.4402	C.2	1	noname	-0.0408
14	C11    19.6566    -4.8559     2.3652	C.2	1	noname	-0.0503
15	C12    15.6797    -1.9979    -1.1986	C.2	1	noname	0.1143
16	C13    17.8926    -1.5969    -1.9066	C.2	1	noname	0.0817
17	C14    19.7376    -2.6459    -0.6306	C.2	1	noname	0.0103
18	C15    21.5325    -3.6908     0.6433	C.2	1	noname	-0.0486
19	C16    21.0285    -5.0878     2.5712	C.2	1	noname	-0.0550
20	O1    14.4527    -1.8198    -1.3465	O.2	1	noname	-0.2481
21	N3    16.5566    -1.4149    -2.0525	N.3	1	noname	0.1044
22	O2    18.6625    -1.0389    -2.7195	O.2	1	noname	-0.2831
23	C17    21.9645    -4.4998     1.7033	C.2	1	noname	-0.0772
24	C18    21.4635    -5.9398     3.6892	C.3	1	noname	-0.0016
25	H1    15.1039    -3.6701     4.6639	H	1	noname	0.0638
26	H2    14.9449    -7.0800     2.1900	H	1	noname	0.0638
27	H3    16.7998    -2.7200     3.2360	H	1	noname	0.0640
28	H4    16.6399    -6.1220     0.7681	H	1	noname	0.0640
29	H5    18.9946    -5.2918     3.0062	H	1	noname	0.0642
30	H6    20.4305    -2.2239    -1.2535	H	1	noname	0.0638
31	H7    22.2274    -3.2708     0.0233	H	1	noname	0.0629
32	H8    16.2246    -0.8609    -2.7745	H	1	noname	0.1424
33	H9    22.9634    -4.6597     1.8413	H	1	noname	0.0625
34	H10    22.5504    -6.0347     3.7153	H	1	noname	0.0279
35	H11    21.1275    -5.5048     4.6322	H	1	noname	0.0279
36	H12    21.0285    -6.9347     3.5813	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	25	1
6	4	6	2
7	4	26	1
8	5	7	2
9	5	27	1
10	6	7	1
11	6	28	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	29	1
26	15	20	2
27	15	21	1
28	16	22	2
29	16	21	1
30	17	30	1
31	18	23	2
32	18	31	1
33	19	24	1
34	19	23	1
35	21	32	1
36	23	33	1
37	24	34	1
38	24	35	1
39	24	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1