@<TRIPOS>MOLECULE
72941571
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.3763     4.6300    -0.0884	Cl	1	noname	-0.0842
2	O1     1.0576    -3.5774    -1.3945	O.3	1	noname	-0.3518
3	O2    -1.0634    -3.2534    -0.0503	O.2	1	noname	-0.2559
4	N1    -1.0288    -0.9007     0.2069	N.3	1	noname	-0.1169
5	N2     1.8225    -1.6174    -0.4781	N.2	1	noname	-0.2311
6	C1    -0.3948     0.3903     0.0936	C.2	1	noname	0.0066
7	C2     1.0438     0.5979    -0.0838	C.2	1	noname	0.0058
8	C3     2.0741    -0.4228    -0.0537	C.2	1	noname	0.0126
9	C4     0.7161    -2.2156    -1.0882	C.3	1	noname	0.2230
10	C5    -0.5162    -2.1276    -0.2666	C.2	1	noname	0.1600
11	C6     3.4375    -0.3025     0.4445	C.2	1	noname	-0.0298
12	C7    -1.2076     1.5924     0.1599	C.2	1	noname	-0.0168
13	C8     1.4596     1.9415    -0.3027	C.2	1	noname	0.0045
14	C9    -2.3164    -1.0203     0.8772	C.3	1	noname	-0.0005
15	C10    -0.6877     2.8948     0.1463	C.2	1	noname	-0.0131
16	C11     0.6803     3.0770    -0.0596	C.2	1	noname	-0.0052
17	C12     4.0610    -1.3769     1.1807	C.2	1	noname	-0.0345
18	C13     4.3078     0.8296     0.2671	C.2	1	noname	-0.0345
19	C14     5.2964    -1.2392     1.8579	C.2	1	noname	-0.0532
20	C15     5.5022     1.0286     1.0014	C.2	1	noname	-0.0532
21	C16     5.9896    -0.0096     1.8175	C.2	1	noname	-0.0523
22	C17     2.1726    -3.5996    -2.2735	C.3	1	noname	0.0388
23	H1     0.5232    -1.7520    -2.0574	H	1	noname	0.0967
24	H2    -2.2271     1.5506     0.2182	H	1	noname	0.0640
25	H3     2.3394     2.1609    -0.7125	H	1	noname	0.0645
26	H4    -3.0531    -1.4199     0.1802	H	1	noname	0.0403
27	H5    -2.6387    -0.0382     1.2230	H	1	noname	0.0403
28	H6    -2.2210    -1.6925     1.7299	H	1	noname	0.0403
29	H7    -1.2880     3.7242     0.2425	H	1	noname	0.0638
30	H8     3.6282    -2.2819     1.2904	H	1	noname	0.0629
31	H9     4.1790     1.5220    -0.4434	H	1	noname	0.0629
32	H10     5.6856    -2.0277     2.3748	H	1	noname	0.0622
33	H11     6.0038     1.9145     0.9395	H	1	noname	0.0622
34	H12     6.8341     0.1248     2.3735	H	1	noname	0.0622
35	H13     2.4316    -4.6326    -2.5058	H	1	noname	0.0530
36	H14     1.9204    -3.0725    -3.1937	H	1	noname	0.0530
37	H15     3.0216    -3.1107    -1.7958	H	1	noname	0.0530
@<TRIPOS>BOND
1	1	16	1
2	9	2	1
3	2	22	1
4	3	10	2
5	4	6	1
6	4	10	1
7	4	14	1
8	5	8	2
9	5	9	1
10	6	7	2
11	6	12	1
12	7	8	1
13	7	13	1
14	8	11	1
15	9	10	1
16	9	23	1
17	11	17	2
18	11	18	1
19	12	15	2
20	12	24	1
21	13	16	2
22	13	25	1
23	14	26	1
24	14	27	1
25	14	28	1
26	15	16	1
27	15	29	1
28	17	19	1
29	17	30	1
30	18	20	2
31	18	31	1
32	19	21	2
33	19	32	1
34	20	21	1
35	20	33	1
36	21	34	1
37	22	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1