@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3532
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.7836     7.4006     0.8790	Cl	1	noname	-0.0837
2	C1     3.1606     6.1317     1.8080	C.2	1	noname	-0.0144
3	C2     2.1456     5.3058     1.2881	C.2	1	noname	-0.0245
4	C3     3.6535     5.8987     3.1060	C.2	1	noname	-0.0490
5	C4     1.6266     4.2419     2.0510	C.2	1	noname	-0.0212
6	C5     3.1285     4.8498     3.8800	C.2	1	noname	-0.0527
7	N1     0.6296     3.4980     1.5071	N.3	1	noname	0.0050
8	C6     2.1155     4.0289     3.3570	C.2	1	noname	-0.0540
9	C7     0.5116     2.1411     1.5461	C.2	1	noname	0.0373
10	N2     1.4584     1.3782     2.1511	N.2	1	noname	-0.2423
11	C8    -0.5953     1.5052     0.9432	C.2	1	noname	-0.0127
12	C9     1.3864     0.0293     2.2072	C.2	1	noname	0.0406
13	C10    -0.6494     0.0933     1.0163	C.2	1	noname	0.0462
14	C11    -1.6343     2.1972     0.2863	C.2	1	noname	0.0264
15	N3     0.3324    -0.5985     1.6392	N.2	1	noname	-0.2520
16	C12    -1.7264    -0.5995     0.4403	C.2	1	noname	0.0378
17	C13    -2.7203     1.5042    -0.2946	C.2	1	noname	0.0453
18	C14    -2.7624     0.0903    -0.2135	C.2	1	noname	0.0600
19	O1    -3.7333     2.1642    -0.9325	O.3	1	noname	-0.2654
20	O2    -3.7483    -0.7095    -0.7254	O.3	1	noname	-0.2629
21	C15    -3.7904     3.5872    -1.0665	C.3	1	noname	0.0424
22	C16    -4.8983    -0.2294    -1.4243	C.3	1	noname	0.0424
23	H1     1.7836     5.4738     0.3482	H	1	noname	0.0655
24	H2     4.3894     6.4898     3.4960	H	1	noname	0.0638
25	H3     3.4804     4.6869     4.8230	H	1	noname	0.0623
26	H4    -0.0443     3.9820     1.0062	H	1	noname	0.1357
27	H5     1.7325     3.2790     3.9330	H	1	noname	0.0639
28	H6     2.1183    -0.5085     2.6721	H	1	noname	0.1062
29	H7    -1.6044     3.2141     0.2293	H	1	noname	0.0659
30	H8    -1.7574    -1.6184     0.4984	H	1	noname	0.0674
31	H9    -4.6954     3.8522    -1.6134	H	1	noname	0.0535
32	H10    -3.8234     4.0582    -0.0825	H	1	noname	0.0535
33	H11    -2.9245     3.9502    -1.6214	H	1	noname	0.0535
34	H12    -5.5123    -1.0814    -1.7153	H	1	noname	0.0535
35	H13    -5.4883     0.4235    -0.7793	H	1	noname	0.0535
36	H14    -4.5974     0.3095    -2.3232	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	23	1
6	4	6	2
7	4	24	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	25	1
12	7	9	1
13	7	26	1
14	8	27	1
15	9	10	2
16	9	11	1
17	10	12	1
18	11	13	1
19	11	14	2
20	12	15	2
21	12	28	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	29	1
26	16	18	1
27	16	30	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	21	1
32	20	22	1
33	21	31	1
34	21	32	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1