@<TRIPOS>MOLECULE
86278314
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.3241    -3.7177     0.5714	Cl	1	noname	-0.1159
2	Cl2    -0.2502    -4.2311    -4.3093	Cl	1	noname	-0.0801
3	O1    -1.6942    -0.0277    -1.1441	O.3	1	noname	-0.3831
4	O2    -0.1797    -1.5338    -2.8337	O.3	1	noname	-0.3851
5	N1     0.9604    -0.2435    -0.3980	N.3	1	noname	0.0176
6	N2     1.7309    -0.7202    -1.3173	N.2	1	noname	-0.2525
7	N3     2.0638     1.4443    -1.2333	N.2	1	noname	-0.1978
8	C1    -2.4468    -1.9823     0.3056	C.3	1	noname	0.0780
9	C2    -3.0065    -1.2461     1.5537	C.3	1	noname	-0.0291
10	C3    -3.9132    -1.4552     0.3482	C.3	1	noname	-0.0291
11	C4    -1.3319    -1.3276    -0.6345	C.3	1	noname	0.1314
12	C5    -0.9731    -2.2497    -1.8953	C.3	1	noname	0.1126
13	C6    -0.0780    -0.9912     0.2613	C.3	1	noname	0.0007
14	C7    -2.0451    -2.7721    -2.8107	C.2	1	noname	-0.0079
15	C8    -1.8004    -3.6480    -3.9165	C.2	1	noname	0.0003
16	C9    -3.3627    -2.2751    -2.6882	C.2	1	noname	-0.0379
17	C10     1.2145     1.0686    -0.2738	C.2	1	noname	-0.0078
18	C11    -2.8445    -3.9942    -4.8090	C.2	1	noname	-0.0244
19	C12    -4.4208    -2.7102    -3.4778	C.2	1	noname	-0.0550
20	C13     2.3457     0.3178    -1.8947	C.2	1	noname	0.0761
21	C14    -4.1582    -3.5388    -4.5659	C.2	1	noname	-0.0507
22	H1    -3.3415    -1.8011     2.4255	H	1	noname	0.0286
23	H2    -2.7203    -0.2089     1.6977	H	1	noname	0.0286
24	H3    -4.6758    -2.2455     0.3824	H	1	noname	0.0286
25	H4    -4.1497    -0.5143    -0.1534	H	1	noname	0.0286
26	H5    -0.3790    -3.0954    -1.5380	H	1	noname	0.0684
27	H6    -0.4132    -0.3747     1.0954	H	1	noname	0.0522
28	H7     0.3336    -1.8981     0.7015	H	1	noname	0.0522
29	H8    -2.4424    -0.1256    -1.7701	H	1	noname	0.2111
30	H9    -0.6741    -0.7479    -3.1471	H	1	noname	0.2110
31	H10    -3.5704    -1.5178    -2.0614	H	1	noname	0.0627
32	H11     0.8104     1.7161     0.3892	H	1	noname	0.1030
33	H12    -2.6583    -4.5412    -5.6521	H	1	noname	0.0638
34	H13    -5.3710    -2.3694    -3.2835	H	1	noname	0.0622
35	H14     2.9516     0.2522    -2.7124	H	1	noname	0.1079
36	H15    -4.9256    -3.7872    -5.1859	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	8	1
2	2	15	1
3	3	11	1
4	3	29	1
5	4	12	1
6	4	30	1
7	5	6	1
8	5	13	1
9	5	17	1
10	6	20	2
11	7	17	2
12	7	20	1
13	8	9	1
14	8	10	1
15	8	11	1
16	9	10	1
17	9	22	1
18	9	23	1
19	10	24	1
20	10	25	1
21	11	12	1
22	11	13	1
23	12	14	1
24	12	26	1
25	13	27	1
26	13	28	1
27	14	15	1
28	14	16	2
29	15	18	2
30	16	19	1
31	16	31	1
32	17	32	1
33	18	21	1
34	18	33	1
35	19	21	2
36	19	34	1
37	20	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1