@<TRIPOS>MOLECULE
71314913
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -5.5792    -2.6124    -1.5482	Cl	1	noname	-0.0816
2	N1    -2.9066    -1.7298     1.2781	N.3	1	noname	-0.3097
3	C1    -1.7061    -1.0138     0.8498	C.3	1	noname	0.0083
4	C2    -1.5204    -1.1863    -0.6591	C.3	1	noname	0.0146
5	C3    -4.0715    -1.1899     0.5789	C.3	1	noname	0.0223
6	C4    -0.4869    -1.5788     1.5815	C.3	1	noname	-0.0494
7	C5    -0.3215    -0.4713    -1.0868	C.2	1	noname	-0.0568
8	C6    -5.2704    -1.9049     1.0067	C.2	1	noname	-0.0150
9	C7     0.9080    -1.1195    -1.0964	C.2	1	noname	-0.0634
10	C8    -0.4097     0.8577    -1.4846	C.2	1	noname	-0.0634
11	C9    -6.0357    -2.5977     0.0758	C.2	1	noname	-0.0045
12	C10    -5.6466    -1.8929     2.3448	C.2	1	noname	-0.0428
13	C11     2.0494    -0.4388    -1.5036	C.2	1	noname	-0.0629
14	C12     0.7317     1.5384    -1.8918	C.2	1	noname	-0.0629
15	C13     1.9613     0.8902    -1.9013	C.2	1	noname	-0.0682
16	C14    -7.1771    -3.2785     0.4831	C.2	1	noname	-0.0254
17	C15    -6.7880    -2.5736     2.7520	C.2	1	noname	-0.0559
18	C16    -7.5533    -3.2664     1.8212	C.2	1	noname	-0.0510
19	H1    -1.8118     0.0455     1.0841	H	1	noname	0.0465
20	H2    -2.3890    -0.7838    -1.1804	H	1	noname	0.0332
21	H3    -1.4147    -2.2456    -0.8934	H	1	noname	0.0332
22	H4    -2.8075    -2.7230     1.0584	H	1	noname	0.1228
23	H5    -4.1772    -0.1307     0.8132	H	1	noname	0.0479
24	H6    -3.9393    -1.3128    -0.4960	H	1	noname	0.0479
25	H7     0.4081    -1.0450     1.2622	H	1	noname	0.0246
26	H8    -0.6192    -1.4559     2.6565	H	1	noname	0.0246
27	H9    -0.3812    -2.6381     1.3472	H	1	noname	0.0246
28	H10     0.9727    -2.0947    -0.8045	H	1	noname	0.0625
29	H11    -1.3120     1.3333    -1.4776	H	1	noname	0.0625
30	H12    -5.0850    -1.3845     3.0278	H	1	noname	0.0626
31	H13     2.9517    -0.9144    -1.5106	H	1	noname	0.0622
32	H14     0.6670     2.5136    -2.1837	H	1	noname	0.0622
33	H15     2.7989     1.3897    -2.2002	H	1	noname	0.0622
34	H16    -7.7387    -3.7869    -0.2000	H	1	noname	0.0638
35	H17    -7.0640    -2.5648     3.7339	H	1	noname	0.0622
36	H18    -8.3908    -3.7660     2.1200	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	11	1
2	3	2	1
3	2	5	1
4	2	22	1
5	3	4	1
6	3	6	1
7	3	19	1
8	4	7	1
9	4	20	1
10	4	21	1
11	5	8	1
12	5	23	1
13	5	24	1
14	6	25	1
15	6	26	1
16	6	27	1
17	7	9	2
18	7	10	1
19	8	11	1
20	8	12	2
21	9	13	1
22	9	28	1
23	10	14	2
24	10	29	1
25	11	16	2
26	12	17	1
27	12	30	1
28	13	15	2
29	13	31	1
30	14	15	1
31	14	32	1
32	15	33	1
33	16	18	1
34	16	34	1
35	17	18	2
36	17	35	1
37	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1