@<TRIPOS>MOLECULE
DB06794
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.8276    -1.4434    -0.0360	Cl	1	noname	-0.0647
2	C1     0.0124     0.0196    -0.0194	C.2	1	noname	0.0439
3	C2     1.3948     0.0256     0.1252	C.2	1	noname	0.0286
4	C3    -0.6780     1.2189    -0.1503	C.2	1	noname	0.0286
5	N1     2.0603    -1.1306     0.2514	N.3	1	noname	-0.1055
6	C4     2.0869     1.2310     0.1389	C.2	1	noname	0.0155
7	N2    -2.0107     1.2131    -0.2897	N.3	1	noname	-0.1055
8	C5     0.0141     2.4242    -0.1366	C.2	1	noname	0.0155
9	C6     3.3195    -1.2312    -0.1958	C.2	1	noname	0.1868
10	C7     1.3966     2.4303     0.0080	C.2	1	noname	0.0087
11	C8    -2.7367     2.2421     0.1680	C.2	1	noname	0.1868
12	O1     3.9403    -2.3097    -0.0780	O.2	1	noname	-0.2375
13	C9     3.9353    -0.1361    -0.7906	C.2	1	noname	0.1748
14	C10     2.0399     3.5507     0.0207	C.1	1	noname	0.0622
15	O2    -3.9799     2.2367     0.0380	O.2	1	noname	-0.2375
16	C11    -2.1074     3.3156     0.7875	C.2	1	noname	0.1748
17	O3     5.1099    -0.2299    -1.2078	O.2	1	noname	-0.2256
18	O4     3.2648     1.0287    -0.9178	O.3	1	noname	-0.1950
19	N3     2.6115     4.5462     0.0320	N.1	1	noname	-0.1837
20	O5    -2.7847     4.2755     1.2145	O.2	1	noname	-0.2256
21	O6    -0.7648     3.3215     0.9279	O.3	1	noname	-0.1950
22	H1     1.6129    -1.9263     0.6837	H	1	noname	0.1377
23	H2     3.1710     1.2357     0.2523	H	1	noname	0.0653
24	H3    -2.4680     0.4330    -0.7398	H	1	noname	0.1377
25	H4    -0.5272     3.3647    -0.2393	H	1	noname	0.0653
26	H5     3.0633     1.3787    -0.0468	H	1	noname	0.2218
27	H6    -0.5407     3.3224     1.8614	H	1	noname	0.2218
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	2
8	5	9	1
9	6	10	2
10	7	11	1
11	8	10	1
12	9	12	2
13	9	13	1
14	10	14	1
15	11	15	2
16	11	16	1
17	13	17	2
18	13	18	1
19	14	19	3
20	16	20	2
21	16	21	1
22	5	22	1
23	6	23	1
24	7	24	1
25	8	25	1
26	18	26	1
27	21	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1