@<TRIPOS>MOLECULE
DB00897
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.0840    -3.6213     2.6460	Cl	1	noname	-0.0770
2	C1    -1.4931    -3.0588     2.4404	C.2	1	noname	0.0098
3	C2    -1.8496    -2.4026     1.2681	C.2	1	noname	0.0016
4	C3    -2.4360    -3.2516     3.4433	C.2	1	noname	-0.0212
5	C4    -0.9271    -2.2140     0.2868	C.2	1	noname	0.0110
6	C5    -3.1491    -1.9392     1.0987	C.2	1	noname	-0.0277
7	C6    -3.7355    -2.7882     3.2739	C.2	1	noname	-0.0456
8	N1    -0.0145    -3.1156     0.2160	N.2	1	noname	-0.2523
9	C7    -1.1127    -1.0836    -0.4818	C.2	1	noname	-0.0116
10	C8    -4.0920    -2.1319     2.1016	C.2	1	noname	-0.0517
11	C9     0.9920    -3.2005    -0.7362	C.3	1	noname	0.0981
12	C10    -0.0956    -0.3212    -1.1839	C.2	1	noname	0.0074
13	C11    -2.4881    -0.7097    -0.4693	C.2	1	noname	-0.0009
14	C12     1.7537    -1.9456    -0.8355	C.2	1	noname	0.0088
15	N2     1.2602    -0.7038    -1.0935	N.3	1	noname	0.0135
16	C13    -0.5395     0.8338    -1.9317	C.2	1	noname	-0.0327
17	C14    -2.8720     0.4368    -1.2034	C.2	1	noname	-0.0277
18	N3     3.0823    -1.8947    -0.6792	N.2	1	noname	-0.1592
19	C15     2.3665     0.0792    -1.1406	C.2	1	noname	0.0124
20	C16    -1.9187     1.1972    -1.9352	C.2	1	noname	-0.0180
21	Cl2    -4.4909     0.9111    -1.2110	Cl	1	noname	-0.0895
22	N4     3.4496    -0.6743    -0.8693	N.2	1	noname	-0.1745
23	C17     2.3811     1.5086    -1.4376	C.3	1	noname	0.0564
24	H1    -2.1565    -3.7662     4.3626	H	1	noname	0.0638
25	H2    -3.4287    -1.4245     0.1794	H	1	noname	0.0630
26	H3    -4.4749    -2.9393     4.0604	H	1	noname	0.0623
27	H4    -5.1110    -1.7685     1.9687	H	1	noname	0.0622
28	H5     1.6735    -3.9659    -0.3650	H	1	noname	0.0597
29	H6     0.4765    -3.3438    -1.6858	H	1	noname	0.0597
30	H7    -3.2274    -1.2856     0.0874	H	1	noname	0.0645
31	H8     0.1715     1.4357    -2.4975	H	1	noname	0.0643
32	H9    -2.2481     2.0667    -2.5042	H	1	noname	0.0638
33	H10     2.3869     2.0733    -0.5053	H	1	noname	0.0310
34	H11     3.2736     1.7506    -2.0146	H	1	noname	0.0310
35	H12     1.4938     1.7689    -2.0146	H	1	noname	0.0310
@<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	2
7	5	8	2
8	5	9	1
9	6	10	2
10	7	10	1
11	8	11	1
12	9	12	2
13	9	13	1
14	11	14	1
15	12	15	1
16	12	16	1
17	13	17	2
18	14	18	2
19	14	15	1
20	15	19	1
21	16	20	2
22	17	21	1
23	17	20	1
24	18	22	1
25	19	23	1
26	19	22	2
27	4	24	1
28	6	25	1
29	7	26	1
30	10	27	1
31	11	28	1
32	11	29	1
33	13	30	1
34	16	31	1
35	20	32	1
36	23	33	1
37	23	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1