@<TRIPOS>MOLECULE
76959460
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -4.2368    -3.9751     1.3803	Cl	1	noname	-0.0728
2	Cl2    -2.7815    -5.5534    -0.8240	Cl	1	noname	-0.0732
3	O1    -2.2063     1.4603     0.5774	O.2	1	noname	-0.2785
4	N1    -0.1038     0.2721     0.4340	N.3	1	noname	0.0770
5	N2     0.9548     0.3286    -0.2466	N.2	1	noname	-0.2613
6	N3     1.8722     1.5345    -1.9557	N.3	1	noname	-0.1318
7	C1    -0.3028    -0.6770     1.4577	C.3	1	noname	0.0617
8	C2    -0.9134    -1.8782     0.8956	C.2	1	noname	-0.0348
9	C3     1.0439    -1.0368     2.0884	C.3	1	noname	-0.0429
10	C4    -1.0780     1.2404     0.0865	C.2	1	noname	0.1006
11	C5    -0.3444     1.9439    -1.0712	C.3	1	noname	0.0771
12	C6     0.9037     1.2531    -1.1197	C.2	1	noname	-0.0525
13	C7    -2.1521    -2.3088     1.3563	C.2	1	noname	-0.0096
14	C8    -0.2560    -2.5912    -0.1001	C.2	1	noname	-0.0401
15	C9    -2.7334    -3.4524     0.8212	C.2	1	noname	0.0207
16	C10    -0.8373    -3.7348    -0.6352	C.2	1	noname	-0.0168
17	C11    -2.0760    -4.1654    -0.1746	C.2	1	noname	0.0184
18	H1    -0.9602    -0.2575     2.2192	H	1	noname	0.0540
19	H2     0.8901    -1.7704     2.8797	H	1	noname	0.0250
20	H3     1.4998    -0.1400     2.5080	H	1	noname	0.0250
21	H4     1.7013    -1.4562     1.3269	H	1	noname	0.0250
22	H5    -0.8885     1.7769    -2.0009	H	1	noname	0.0439
23	H6    -0.2743     3.0285    -0.9885	H	1	noname	0.0439
24	H7    -2.6345    -1.7856     2.0870	H	1	noname	0.0642
25	H8     0.6530    -2.2752    -0.4382	H	1	noname	0.0626
26	H9    -0.3548    -4.2580    -1.3660	H	1	noname	0.0638
27	H10     2.6177     0.9336    -1.8009	H	1	noname	0.1255
28	H11     1.5547     1.4280    -2.8661	H	1	noname	0.1255
@<TRIPOS>BOND
1	1	15	1
2	2	17	1
3	3	10	2
4	4	5	1
5	4	7	1
6	4	10	1
7	5	12	2
8	6	12	1
9	6	27	1
10	6	28	1
11	7	8	1
12	7	9	1
13	7	18	1
14	8	13	2
15	8	14	1
16	9	19	1
17	9	20	1
18	9	21	1
19	10	11	1
20	11	12	1
21	11	22	1
22	11	23	1
23	13	15	1
24	13	24	1
25	14	16	2
26	14	25	1
27	15	17	2
28	16	17	1
29	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1