@<TRIPOS>MOLECULE
73416430
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.3594     1.9740    -0.9467	Cl	1	noname	-0.0685
2	O1     2.0498     4.1851    -0.0956	O.3	1	noname	-0.2760
3	O2    -0.6179     4.2130    -0.6769	O.3	1	noname	-0.2690
4	O3     2.7254    -1.9476     5.7570	O.3	1	noname	-0.2865
5	N1     0.6645    -2.6724    -0.0908	N.3	1	noname	-0.3154
6	C1     2.2755    -0.6479     0.1925	C.3	1	noname	0.0439
7	C2     1.3588     0.5367    -0.0225	C.2	1	noname	-0.0496
8	C3     1.8428    -1.9041    -0.6076	C.3	1	noname	0.0062
9	C4    -0.0584     0.5138    -0.3187	C.2	1	noname	-0.0252
10	C5    -0.9540    -0.7079    -0.4859	C.3	1	noname	0.0229
11	C6    -0.6770    -2.0763     0.2015	C.3	1	noname	-0.0007
12	C7     2.5057    -0.9300     1.6659	C.2	1	noname	-0.0640
13	C8     2.0179     1.7995     0.0618	C.2	1	noname	-0.0202
14	C9    -0.7046     1.7870    -0.5386	C.2	1	noname	0.0161
15	C10     1.3588     3.0186    -0.1569	C.2	1	noname	0.0227
16	C11     3.7801    -0.9316     2.3182	C.2	1	noname	-0.0473
17	C12     1.3738    -1.1430     2.4843	C.2	1	noname	-0.0473
18	C13    -0.0042     3.0146    -0.4531	C.2	1	noname	0.0468
19	C14     3.8577    -1.2599     3.7092	C.2	1	noname	-0.0317
20	C15     1.4540    -1.6508     3.7779	C.2	1	noname	-0.0317
21	C16     2.6888    -1.6622     4.4343	C.2	1	noname	-0.0038
22	H1     3.2454    -0.4177    -0.2718	H	1	noname	0.0415
23	H2     1.7303    -1.6376    -1.6689	H	1	noname	0.0437
24	H3     2.6995    -2.5972    -0.5959	H	1	noname	0.0437
25	H4    -1.9158    -0.4516    -0.0448	H	1	noname	0.0329
26	H5    -1.1150    -0.8592    -1.5495	H	1	noname	0.0329
27	H6    -1.4274    -2.8295    -0.0928	H	1	noname	0.0431
28	H7    -0.8835    -1.9980     1.2773	H	1	noname	0.0431
29	H8     0.9567    -3.2559     0.6957	H	1	noname	0.1222
30	H9     3.0172     1.8687     0.2779	H	1	noname	0.0654
31	H10     4.6399    -0.6455     1.8191	H	1	noname	0.0626
32	H11     0.4812    -0.8191     2.1649	H	1	noname	0.0626
33	H12     4.7721    -1.1816     4.2026	H	1	noname	0.0650
34	H13     0.6015    -1.9324     4.2526	H	1	noname	0.0650
35	H14     2.9895     3.9977     0.1097	H	1	noname	0.2183
36	H15     0.0327     4.9381    -0.5704	H	1	noname	0.2183
37	H16     3.6396    -1.8326     6.0908	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	14	1
2	2	15	1
3	2	35	1
4	3	18	1
5	3	36	1
6	4	21	1
7	4	37	1
8	5	8	1
9	5	11	1
10	5	29	1
11	6	7	1
12	6	8	1
13	6	12	1
14	6	22	1
15	7	9	1
16	7	13	2
17	8	23	1
18	8	24	1
19	9	10	1
20	9	14	2
21	10	11	1
22	10	25	1
23	10	26	1
24	11	27	1
25	11	28	1
26	12	16	2
27	12	17	1
28	13	15	1
29	13	30	1
30	14	18	1
31	15	18	2
32	16	19	1
33	16	31	1
34	17	20	2
35	17	32	1
36	19	21	2
37	19	33	1
38	20	21	1
39	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1