@<TRIPOS>MOLECULE
85922579
28 30 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.6324     1.4533     5.1685	Cl	1	noname	-0.0207
2	N1     2.0431    -0.5422     0.7629	N.3	1	noname	0.0735
3	N2     2.3396    -1.3592     1.7345	N.2	1	noname	-0.2109
4	N3     2.2075    -0.8066     2.8954	N.2	1	noname	-0.1331
5	N4     1.3268     1.8148     0.6957	N.2	1	noname	-0.1948
6	N5     1.1641     2.7257     2.8630	N.2	1	noname	-0.2067
7	C1     1.9766    -0.8225    -0.6168	C.3	1	noname	0.0044
8	C2     3.4142    -1.0221    -1.2387	C.3	1	noname	-0.0324
9	C3     0.8992    -1.9556    -0.7806	C.3	1	noname	-0.0324
10	C4     3.4757    -2.1788    -2.2849	C.3	1	noname	-0.0514
11	C5     1.5611    -3.3589    -0.8340	C.3	1	noname	-0.0514
12	C6     2.7267    -3.4815    -1.8628	C.3	1	noname	-0.0531
13	C7     1.7094     0.6358     1.2801	C.2	1	noname	0.1557
14	C8     1.8195     0.4542     2.6490	C.2	1	noname	0.0951
15	C9     1.5303     1.5627     3.4881	C.2	1	noname	0.1100
16	C10     1.0515     2.8871     1.5018	C.2	1	noname	0.0702
17	H1     1.5857     0.0755    -1.0952	H	1	noname	0.0528
18	H2     3.7405    -0.0926    -1.7052	H	1	noname	0.0286
19	H3     4.0689    -1.3129    -0.4172	H	1	noname	0.0286
20	H4     0.1998    -1.9154     0.0544	H	1	noname	0.0286
21	H5     0.4076    -1.7954    -1.7402	H	1	noname	0.0286
22	H6     3.0833    -1.8270    -3.2390	H	1	noname	0.0267
23	H7     4.5176    -2.4153    -2.5008	H	1	noname	0.0267
24	H8     0.8025    -4.1104    -1.0531	H	1	noname	0.0267
25	H9     2.0050    -3.5204     0.1483	H	1	noname	0.0267
26	H10     2.3725    -4.0017    -2.7528	H	1	noname	0.0266
27	H11     3.4511    -4.1412    -1.3851	H	1	noname	0.0266
28	H12     0.7701     3.7827     1.1029	H	1	noname	0.1062
@<TRIPOS>BOND
1	1	15	1
2	2	3	1
3	2	7	1
4	2	13	1
5	3	4	2
6	4	14	1
7	5	13	1
8	5	16	2
9	6	15	2
10	6	16	1
11	7	8	1
12	7	9	1
13	7	17	1
14	8	10	1
15	8	18	1
16	8	19	1
17	9	11	1
18	9	20	1
19	9	21	1
20	10	12	1
21	10	22	1
22	10	23	1
23	11	12	1
24	11	24	1
25	11	25	1
26	12	26	1
27	12	27	1
28	13	14	2
29	14	15	1
30	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1