@<TRIPOS>MOLECULE
82100418
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.2138     4.0028     0.4473	Cl	1	noname	-0.0809
2	O1    -1.9063    -1.2733    -0.1864	O.2	1	noname	-0.2922
3	N1     1.2864    -2.9058     0.3551	N.3	1	noname	-0.3104
4	C1    -0.1398    -2.6454     0.1173	C.3	1	noname	0.0678
5	C2    -0.6732    -1.2636     0.0171	C.2	1	noname	0.1001
6	C3     0.0222    -0.0011     0.1208	C.2	1	noname	-0.0147
7	C4    -0.9778    -3.4442     1.1176	C.3	1	noname	-0.0423
8	C5     1.4241     0.1062     0.3513	C.2	1	noname	-0.0069
9	C6    -0.6975     1.2329    -0.0089	C.2	1	noname	-0.0069
10	C7     1.5165    -4.3487     0.4058	C.3	1	noname	-0.0157
11	C8     2.0930     1.3345     0.4509	C.2	1	noname	-0.0143
12	C9    -0.0359     2.4823     0.0893	C.2	1	noname	-0.0143
13	C10     1.3559     2.5310     0.3186	C.2	1	noname	0.0071
14	H1    -0.4114    -3.1229    -0.8242	H	1	noname	0.0547
15	H2    -2.0359    -3.2510     0.9412	H	1	noname	0.0251
16	H3    -0.7769    -4.5082     0.9920	H	1	noname	0.0251
17	H4    -0.7176    -3.1426     2.1322	H	1	noname	0.0251
18	H5     1.8380    -2.4994    -0.4032	H	1	noname	0.1226
19	H6     2.0315    -0.6981     0.4586	H	1	noname	0.0630
20	H7    -1.7269     1.2484    -0.1790	H	1	noname	0.0630
21	H8     2.5746    -4.5420     0.5822	H	1	noname	0.0391
22	H9     0.9282    -4.7823     1.2145	H	1	noname	0.0391
23	H10     1.2181    -4.7977    -0.5416	H	1	noname	0.0391
24	H11     3.1022     1.3495     0.6174	H	1	noname	0.0638
25	H12    -0.5825     3.3555    -0.0086	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	13	1
2	2	5	2
3	3	4	1
4	3	10	1
5	3	18	1
6	4	5	1
7	4	7	1
8	4	14	1
9	5	6	1
10	6	8	2
11	6	9	1
12	7	15	1
13	7	16	1
14	7	17	1
15	8	11	1
16	8	19	1
17	9	12	2
18	9	20	1
19	10	21	1
20	10	22	1
21	10	23	1
22	11	13	2
23	11	24	1
24	12	13	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1