@<TRIPOS>MOLECULE
72710764
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.0093     4.4743     0.3984	Cl	1	noname	-0.0856
2	O1     3.5235    -0.1618     0.9454	O.3	1	noname	-0.3840
3	N1     0.7353    -2.6139     0.2631	N.3	1	noname	-0.3131
4	C1     2.1643    -0.5729     0.9424	C.3	1	noname	0.0996
5	C2     2.0207    -1.8707     0.1173	C.3	1	noname	0.0281
6	C3     1.3133     0.5380     0.4549	C.2	1	noname	-0.0325
7	C4     0.0056     0.4606    -0.2019	C.2	1	noname	-0.0384
8	C5    -0.8463    -0.7167    -0.4907	C.3	1	noname	0.0166
9	C6    -0.5777    -1.9360     0.4248	C.3	1	noname	-0.0006
10	C7     1.6404    -0.9395     2.3324	C.3	1	noname	-0.0305
11	C8     1.9397     1.8058     0.6623	C.2	1	noname	-0.0142
12	C9    -0.6172     1.6517    -0.6873	C.2	1	noname	-0.0494
13	C10     1.2828     2.9679     0.1774	C.2	1	noname	-0.0164
14	C11     0.0350     2.8958    -0.4861	C.2	1	noname	-0.0271
15	H1     2.1970    -1.6529    -0.9361	H	1	noname	0.0461
16	H2     2.7954    -2.5685     0.4352	H	1	noname	0.0461
17	H3    -1.8960    -0.4321    -0.4182	H	1	noname	0.0329
18	H4    -0.6733    -0.9697    -1.5367	H	1	noname	0.0329
19	H5    -1.3798    -2.6643     0.3046	H	1	noname	0.0431
20	H6    -0.6432    -1.5520     1.4428	H	1	noname	0.0431
21	H7     0.6654    -3.3210    -0.4714	H	1	noname	0.1223
22	H8     0.5966    -1.2445     2.2585	H	1	noname	0.0263
23	H9     1.7204    -0.0744     2.9906	H	1	noname	0.0263
24	H10     2.2310    -1.7608     2.7383	H	1	noname	0.0263
25	H11     2.8351     1.8742     1.1458	H	1	noname	0.0642
26	H12    -1.5147     1.6083    -1.1699	H	1	noname	0.0626
27	H13     4.0767    -0.8655     1.3444	H	1	noname	0.2113
28	H14    -0.4028     3.7523    -0.8253	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	13	1
2	4	2	1
3	2	27	1
4	3	5	1
5	3	9	1
6	3	21	1
7	4	5	1
8	4	6	1
9	4	10	1
10	5	15	1
11	5	16	1
12	6	7	2
13	6	11	1
14	7	8	1
15	7	12	1
16	8	9	1
17	8	17	1
18	8	18	1
19	9	19	1
20	9	20	1
21	10	22	1
22	10	23	1
23	10	24	1
24	11	13	2
25	11	25	1
26	12	14	2
27	12	26	1
28	13	14	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1