@<TRIPOS>MOLECULE
76960476
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.8300    -3.2924    -0.6774	Cl	1	noname	-0.0792
2	Cl2     2.2251     1.7694    -0.2237	Cl	1	noname	-0.0792
3	O1    -1.0091    -1.9839    -3.0391	O.3	1	noname	-0.2050
4	O2    -1.3838    -1.4816    -0.8759	O.2	1	noname	-0.2525
5	N1     1.9962    -1.1305     0.0182	N.3	1	noname	-0.0096
6	N2    -2.1272    -5.3022    -4.1906	N.3	1	noname	-0.3282
7	C1     0.3497     0.4277    -0.6536	C.2	1	noname	-0.0498
8	C2     1.2291    -0.0690     0.3015	C.2	1	noname	-0.0251
9	C3     0.2618    -0.2072    -1.9654	C.3	1	noname	0.0604
10	C4    -0.4460     1.5289    -0.3598	C.2	1	noname	-0.0561
11	C5     1.3127     0.5355     1.5503	C.2	1	noname	-0.0581
12	C6     3.1561    -0.7155    -0.5090	C.2	1	noname	0.0317
13	C7    -0.3624     2.1334     0.8891	C.2	1	noname	-0.0826
14	C8    -0.7527    -1.2566    -1.9311	C.2	1	noname	0.1426
15	C9     0.5170     1.6367     1.8442	C.2	1	noname	-0.0628
16	C10     4.1202    -1.6436    -0.8848	C.2	1	noname	-0.0076
17	C11     3.3952     0.6430    -0.6799	C.2	1	noname	-0.0076
18	C12    -1.4539    -3.3272    -2.9195	C.3	1	noname	0.0687
19	C13    -1.6692    -3.9192    -4.3138	C.3	1	noname	0.0166
20	C14     5.3234    -1.2131    -1.4317	C.2	1	noname	-0.0268
21	C15     4.5984     1.0735    -1.2267	C.2	1	noname	-0.0268
22	C16     5.5625     0.1455    -1.6026	C.2	1	noname	-0.0667
23	H1    -0.0115     0.5382    -2.7122	H	1	noname	0.0423
24	H2     1.2269    -0.6432    -2.2234	H	1	noname	0.0423
25	H3     2.1708    -1.6295     0.8315	H	1	noname	0.1343
26	H4    -1.0913     1.8934    -1.0606	H	1	noname	0.0626
27	H5     1.9580     0.1710     2.2512	H	1	noname	0.0639
28	H6    -0.9463     2.9415     1.1047	H	1	noname	0.0622
29	H7     0.5784     2.0803     2.7606	H	1	noname	0.0623
30	H8    -2.3924    -3.3512    -2.3657	H	1	noname	0.0586
31	H9    -0.7034    -3.9125    -2.3882	H	1	noname	0.0586
32	H10    -2.4197    -3.3339    -4.8451	H	1	noname	0.0449
33	H11    -0.7307    -3.8952    -4.8676	H	1	noname	0.0449
34	H12     6.0309    -1.8941    -1.7075	H	1	noname	0.0638
35	H13     4.7739     2.0705    -1.3522	H	1	noname	0.0638
36	H14     6.4455     0.4614    -2.0039	H	1	noname	0.0623
37	H15    -2.2710    -5.6976    -5.1220	H	1	noname	0.1185
38	H16    -3.0071    -5.3247    -3.6714	H	1	noname	0.1185
@<TRIPOS>BOND
1	1	16	1
2	2	17	1
3	3	14	1
4	3	18	1
5	4	14	2
6	5	8	1
7	5	12	1
8	5	25	1
9	6	19	1
10	6	37	1
11	6	38	1
12	7	8	1
13	7	9	1
14	7	10	2
15	8	11	2
16	9	14	1
17	9	23	1
18	9	24	1
19	10	13	1
20	10	26	1
21	11	15	1
22	11	27	1
23	12	16	2
24	12	17	1
25	13	15	2
26	13	28	1
27	15	29	1
28	16	20	1
29	17	21	2
30	18	19	1
31	18	30	1
32	18	31	1
33	19	32	1
34	19	33	1
35	20	22	2
36	20	34	1
37	21	22	1
38	21	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1