@<TRIPOS>MOLECULE
DB07180
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.1518    -3.8023     1.1465	Cl	1	noname	-0.0846
2	C1     0.4454    -2.2290     1.0280	C.2	1	noname	-0.0073
3	C2    -0.4364    -1.1771     0.6356	C.2	1	noname	0.0026
4	C3     1.8264    -1.9809     1.3239	C.2	1	noname	-0.0112
5	C4     0.1058     0.1460     0.5450	C.2	1	noname	-0.0017
6	C5     2.3679    -0.6592     1.2547	C.2	1	noname	-0.0196
7	C6     1.4635     0.3781     0.8584	C.2	1	noname	0.0040
8	C7    -0.4112     1.3375     0.0690	C.2	1	noname	0.0499
9	N1     1.7588     1.6661     0.6712	N.3	1	noname	-0.1339
10	C8     0.6096     2.3532     0.1974	C.2	1	noname	0.1008
11	C9    -1.6126     1.5061    -0.5451	C.2	1	noname	-0.0058
12	O1     0.5036     3.5730    -0.0541	O.2	1	noname	-0.2754
13	C10    -2.1549     2.5808    -1.2490	C.2	1	noname	-0.1177
14	N2    -3.4551     2.6784    -1.5813	N.3	1	noname	-0.0496
15	C11    -1.4869     3.6741    -1.8069	C.2	1	noname	-0.0110
16	C12    -3.6473     3.7895    -2.3121	C.2	1	noname	-0.0628
17	C13    -2.4259     4.4290    -2.4734	C.2	1	noname	-0.0086
18	C14    -0.0594     3.9621    -1.7027	C.3	1	noname	0.0141
19	C15    -4.9263     4.2473    -2.8469	C.3	1	noname	0.0148
20	C16    -2.1948     5.6069    -3.1741	C.2	1	noname	0.0160
21	O2    -3.1430     6.1956    -3.7370	O.2	1	noname	-0.2947
22	N3    -0.9555     6.1115    -3.2462	N.3	1	noname	-0.0787
23	C17    -0.7211     7.3065    -3.9571	C.3	1	noname	-0.0085
24	H1    -1.4847    -1.3768     0.4135	H	1	noname	0.0645
25	H2     2.4749    -2.8104     1.6060	H	1	noname	0.0638
26	H3     3.4120    -0.4538     1.4909	H	1	noname	0.0640
27	H4     2.6761     2.0476     0.8531	H	1	noname	0.1374
28	H5    -2.2517     0.6275    -0.4579	H	1	noname	0.0650
29	H6    -4.1754     2.0196    -1.3222	H	1	noname	0.1524
30	H7     0.2239     4.0192    -0.6517	H	1	noname	0.0280
31	H8     0.5079     3.1686    -2.1892	H	1	noname	0.0280
32	H9     0.1559     4.9134    -2.1892	H	1	noname	0.0280
33	H10    -5.5991     4.4881    -2.0237	H	1	noname	0.0293
34	H11    -4.7675     5.1357    -3.4581	H	1	noname	0.0293
35	H12    -5.3674     3.4599    -3.4581	H	1	noname	0.0293
36	H13    -0.2181     5.6049    -2.7776	H	1	noname	0.1309
37	H14    -0.5610     8.1228    -3.2527	H	1	noname	0.0396
38	H15     0.1628     7.1889    -4.5840	H	1	noname	0.0396
39	H16    -1.5839     7.5315    -4.5840	H	1	noname	0.0396
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	1
11	8	11	2
12	9	10	1
13	10	12	2
14	11	13	1
15	13	14	1
16	13	15	2
17	14	16	1
18	15	17	1
19	15	18	1
20	16	19	1
21	16	17	2
22	17	20	1
23	20	21	2
24	20	22	1
25	22	23	1
26	3	24	1
27	4	25	1
28	6	26	1
29	9	27	1
30	11	28	1
31	14	29	1
32	18	30	1
33	18	31	1
34	18	32	1
35	19	33	1
36	19	34	1
37	19	35	1
38	22	36	1
39	23	37	1
40	23	38	1
41	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1