@<TRIPOS>MOLECULE
DB02631
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.1802    -0.6962     1.7874	Cl	1	noname	-0.0509
2	C1     0.3882     0.3389     0.5826	C.2	1	noname	0.0669
3	C2     1.7774     0.5450     0.3454	C.2	1	noname	0.1109
4	C3    -0.4830     1.0676    -0.2681	C.2	1	noname	0.0718
5	O1     2.6895    -0.0976     1.1053	O.3	1	noname	-0.2414
6	N1     2.1953     1.3919    -0.6498	N.2	1	noname	-0.1605
7	N2    -0.0020     1.8941    -1.2730	N.2	1	noname	-0.1942
8	C4    -1.9156     0.9103     0.0281	C.3	1	noname	0.0484
9	C5     1.3507     2.0762    -1.4822	C.2	1	noname	0.1259
10	N3    -2.6278     2.1901    -0.0091	N.3	1	noname	-0.1199
11	O2     1.8161     2.8866    -2.4565	O.3	1	noname	-0.2173
12	C6    -4.0801     1.9887    -0.0044	C.2	1	noname	-0.0751
13	C7    -2.3614     3.1738     1.0494	C.3	1	noname	0.0050
14	N4    -4.7634     0.9125     0.0185	N.2	1	noname	-0.2796
15	C8    -4.5364     3.4538    -0.0351	C.3	1	noname	0.0008
16	C9    -3.4504     4.2165     0.7689	C.3	1	noname	-0.0334
17	H1     2.4892     0.0435     2.0335	H	1	noname	0.2199
18	H2    -2.3310     0.3083    -0.7801	H	1	noname	0.0502
19	H3    -1.9784     0.5580     1.0577	H	1	noname	0.0502
20	H4     2.1605     2.3547    -3.1777	H	1	noname	0.2215
21	H5    -2.5632     2.6965     2.0084	H	1	noname	0.0435
22	H6    -1.3847     3.6173     0.8562	H	1	noname	0.0435
23	H7    -4.9346     0.6428     0.9767	H	1	noname	0.1884
24	H8    -4.4894     3.7930    -1.0699	H	1	noname	0.0343
25	H9    -5.4733     3.5200     0.5180	H	1	noname	0.0343
26	H10    -3.8834     4.5056     1.7265	H	1	noname	0.0284
27	H11    -3.0193     4.9743     0.1147	H	1	noname	0.0284
@<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	4	8	1
8	6	9	2
9	7	9	1
10	8	10	1
11	9	11	1
12	10	12	1
13	10	13	1
14	12	14	2
15	12	15	1
16	13	16	1
17	15	16	1
18	5	17	1
19	8	18	1
20	8	19	1
21	11	20	1
22	13	21	1
23	13	22	1
24	14	23	1
25	15	24	1
26	15	25	1
27	16	26	1
28	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1