@<TRIPOS>MOLECULE
76971091
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.8225    -1.2370     0.2947	Cl	1	noname	-0.0653
2	Cl2    -0.7501     6.2544    -0.7127	Cl	1	noname	-0.0828
3	O1    -1.9271     1.1290    -0.3810	O.2	1	noname	-0.2835
4	N1    -0.0128    -0.0070     0.0486	N.3	1	noname	0.0862
5	N2     2.0727     1.1936     0.0707	N.2	1	noname	-0.2084
6	C1     0.0112     2.3852    -0.4097	C.2	1	noname	0.0366
7	C2     1.4134     2.3706    -0.1968	C.2	1	noname	0.0343
8	C3     1.3988    -0.0006     0.1346	C.2	1	noname	0.0239
9	C4     2.1360     3.5537    -0.2969	C.2	1	noname	0.0070
10	C5    -0.6843     1.1543    -0.2491	C.2	1	noname	0.0719
11	C6    -0.6853     3.5874    -0.3696	C.2	1	noname	0.0171
12	C7     1.4842     4.7423    -0.6043	C.2	1	noname	-0.0057
13	C8    -0.7550    -1.1583     0.2395	C.2	1	noname	-0.0508
14	C9     2.1357    -1.2100     0.2854	C.2	1	noname	0.0290
15	C10     0.0561     4.7811    -0.5534	C.2	1	noname	0.0029
16	C11     3.5797     3.5480    -0.0793	C.3	1	noname	0.0126
17	C12    -0.0538    -2.3776     0.4306	C.2	1	noname	-0.0359
18	C13     1.3629    -2.3893     0.4272	C.2	1	noname	-0.0051
19	H1    -1.6931     3.6097    -0.2137	H	1	noname	0.0647
20	H2     2.0163     5.5735    -0.8620	H	1	noname	0.0641
21	H3    -1.7746    -1.1320     0.2427	H	1	noname	0.0761
22	H4     3.8240     4.2056     0.7549	H	1	noname	0.0280
23	H5     3.9087     2.5341     0.1488	H	1	noname	0.0280
24	H6     4.0842     3.8998    -0.9792	H	1	noname	0.0280
25	H7    -0.5703    -3.2460     0.5705	H	1	noname	0.0633
26	H8     1.8457    -3.2818     0.5308	H	1	noname	0.0639
@<TRIPOS>BOND
1	1	14	1
2	2	15	1
3	3	10	2
4	4	8	1
5	4	10	1
6	4	13	1
7	5	7	1
8	5	8	2
9	6	7	2
10	6	10	1
11	6	11	1
12	7	9	1
13	8	14	1
14	9	12	2
15	9	16	1
16	11	15	2
17	11	19	1
18	12	15	1
19	12	20	1
20	13	17	2
21	13	21	1
22	14	18	2
23	16	22	1
24	16	23	1
25	16	24	1
26	17	18	1
27	17	25	1
28	18	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1