@<TRIPOS>MOLECULE
72941795
42 43 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     5.8673    -1.8650    -1.4026	Cl	1	noname	0.0000
2	O1     7.7430     2.3907    -2.9568	O.3	1	noname	0.0000
3	O2     5.6803     0.6017    -2.5974	O.3	1	noname	0.0000
4	O3     2.3653    -3.9814     1.2479	O.3	1	noname	0.0000
5	N1     7.5783     4.0986    -5.3075	N.3	1	noname	0.0000
6	N2     4.6562     0.2894    -1.9800	N.2	1	noname	0.0000
7	N3     2.3505    -2.8534     0.6756	N.2	1	noname	0.0000
8	C1     7.5667     5.5736    -5.6379	C.3	1	noname	0.0000
9	C2     7.8136     3.1096    -6.4296	C.3	1	noname	0.0000
10	C3     8.0389     5.9727    -7.0711	C.3	1	noname	0.0000
11	C4     7.1747     3.5375    -7.7762	C.3	1	noname	0.0000
12	C5     7.6415     4.9604    -8.1768	C.3	1	noname	0.0000
13	C6     6.4052     3.7405    -4.4404	C.3	1	noname	0.0000
14	C7     6.5840     2.3637    -3.7844	C.3	1	noname	0.0000
15	C8     5.3555     1.9235    -3.0212	C.3	1	noname	0.0000
16	C9     4.5738    -0.8303    -1.3612	C.2	1	noname	0.0000
17	C10     3.4487    -1.2014    -0.6646	C.2	1	noname	0.0000
18	C11     3.4760    -2.4690    -0.0246	C.2	1	noname	0.0000
19	C12     2.2756    -0.3894    -0.5564	C.2	1	noname	0.0000
20	C13     1.1289    -0.8044     0.1702	C.2	1	noname	0.0000
21	C14     1.2086    -2.0840     0.7910	C.2	1	noname	0.0000
22	H1     7.4286     2.1322    -6.1391	H	1	noname	0.0000
23	H2     8.8867     3.1109    -6.6211	H	1	noname	0.0000
24	H3     6.5709     5.9786    -5.4575	H	1	noname	0.0000
25	H4     8.1518     6.1058    -4.8878	H	1	noname	0.0000
26	H5     6.0887     3.5239    -7.6837	H	1	noname	0.0000
27	H6     7.4096     2.8195    -8.5621	H	1	noname	0.0000
28	H7     7.6456     6.9578    -7.3221	H	1	noname	0.0000
29	H8     9.1284     5.9751    -7.0408	H	1	noname	0.0000
30	H9     6.9007     5.4139    -8.8353	H	1	noname	0.0000
31	H10     8.5463     4.8457    -8.7736	H	1	noname	0.0000
32	H11     5.4957     3.7414    -5.0412	H	1	noname	0.0000
33	H12     6.2868     4.5034    -3.6709	H	1	noname	0.0000
34	H13     6.7106     1.5930    -4.5422	H	1	noname	0.0000
35	H14     4.5010     1.8887    -3.6971	H	1	noname	0.0000
36	H15     5.1098     2.5825    -2.1885	H	1	noname	0.0000
37	H16     7.6336     3.0750    -2.2638	H	1	noname	0.0000
38	H17     4.2723    -3.0548    -0.0786	H	1	noname	0.0000
39	H18     2.2633     0.4934    -1.0042	H	1	noname	0.0000
40	H19     0.3205    -0.2372     0.2414	H	1	noname	0.0000
41	H20     0.4380    -2.4256     1.3103	H	1	noname	0.0000
42	H21     3.2276    -4.4182     1.0868	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	16	1
2	14	2	1
3	2	37	1
4	3	6	1
5	3	15	1
6	4	7	1
7	4	42	1
8	5	8	1
9	5	9	1
10	5	13	1
11	6	16	2
12	7	18	1
13	7	21	2
14	8	10	1
15	8	24	1
16	8	25	1
17	9	11	1
18	9	22	1
19	9	23	1
20	10	12	1
21	10	28	1
22	10	29	1
23	11	12	1
24	11	26	1
25	11	27	1
26	12	30	1
27	12	31	1
28	13	14	1
29	13	32	1
30	13	33	1
31	14	15	1
32	14	34	1
33	15	35	1
34	15	36	1
35	16	17	1
36	17	18	2
37	17	19	1
38	18	38	1
39	19	20	2
40	19	39	1
41	20	21	1
42	20	40	1
43	21	41	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1