@<TRIPOS>MOLECULE
DB01161
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.9052    -1.5654    -0.1693	Cl	1	noname	-0.0696
2	C1    -0.0316    -0.1248    -0.0834	C.2	1	noname	0.0348
3	C2     1.3554    -0.1571     0.0021	C.2	1	noname	-0.0093
4	C3    -0.6988     1.0946    -0.0980	C.2	1	noname	-0.0222
5	C4     2.0226    -1.3764     0.0168	C.2	1	noname	0.0897
6	C5     2.0752     1.0299     0.0729	C.2	1	noname	0.0002
7	C6     0.0210     2.2816    -0.0272	C.2	1	noname	-0.0019
8	O1     3.2699    -1.4054     0.0936	O.2	1	noname	-0.2570
9	O2     1.3236    -2.5292    -0.0520	O.3	1	noname	-0.2058
10	C7     1.4080     2.2493     0.0582	C.2	1	noname	-0.0508
11	N1    -0.6222     3.4570    -0.0414	N.3	1	noname	-0.1504
12	C8     2.0052    -3.7749    -0.0370	C.3	1	noname	0.0695
13	C9     0.9877    -4.9141    -0.1252	C.3	1	noname	0.0224
14	N2     1.6894    -6.1966    -0.1098	N.3	1	noname	-0.3015
15	C10     0.7171    -7.2851    -0.1941	C.3	1	noname	-0.0046
16	C11     2.4524    -6.3197     1.1312	C.3	1	noname	-0.0046
17	C12    -0.0814    -7.1563    -1.4928	C.3	1	noname	-0.0524
18	C13     3.1868    -7.6618     1.1473	C.3	1	noname	-0.0524
19	H1    -1.7864     1.1199    -0.1650	H	1	noname	0.0655
20	H2     3.1629     1.0046     0.1399	H	1	noname	0.0632
21	H3     1.9725     3.1801     0.1137	H	1	noname	0.0639
22	H4    -0.0972     4.3199    -0.0467	H	1	noname	0.1242
23	H5    -1.6319     3.4801    -0.0467	H	1	noname	0.1242
24	H6     2.6066    -3.7882    -0.9460	H	1	noname	0.0586
25	H7     2.4896    -3.8296     0.9379	H	1	noname	0.0586
26	H8     0.3870    -4.8896     0.7840	H	1	noname	0.0454
27	H9     0.5040    -4.8482    -1.0998	H	1	noname	0.0454
28	H10     1.3000    -8.2041    -0.2563	H	1	noname	0.0427
29	H11     0.0247    -7.1340     0.6340	H	1	noname	0.0427
30	H12     3.2061    -5.5328     1.0995	H	1	noname	0.0427
31	H13     1.7168    -6.3377     1.9354	H	1	noname	0.0427
32	H14    -0.3163    -8.1497    -1.8749	H	1	noname	0.0243
33	H15    -1.0065    -6.6137    -1.2982	H	1	noname	0.0243
34	H16     0.5098    -6.6137    -2.2305	H	1	noname	0.0243
35	H17     3.3560    -7.9710     2.1788	H	1	noname	0.0243
36	H18     2.5831    -8.4125     0.6374	H	1	noname	0.0243
37	H19     4.1446    -7.5580     0.6374	H	1	noname	0.0243
@<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	11	1
11	7	10	1
12	9	12	1
13	12	13	1
14	13	14	1
15	14	15	1
16	14	16	1
17	15	17	1
18	16	18	1
19	4	19	1
20	6	20	1
21	10	21	1
22	11	22	1
23	11	23	1
24	12	24	1
25	12	25	1
26	13	26	1
27	13	27	1
28	15	28	1
29	15	29	1
30	16	30	1
31	16	31	1
32	17	32	1
33	17	33	1
34	17	34	1
35	18	35	1
36	18	36	1
37	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1