@<TRIPOS>MOLECULE
76970310
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     4.1270    -4.9699     1.8494	Cl	1	noname	-0.0859
2	O1     2.2980    -1.7100     0.7610	O.3	1	noname	-0.3568
3	O2    -2.2459     2.7700     0.4103	O.2	1	noname	-0.2466
4	N1     1.4323     0.1865    -0.2355	N.3	1	noname	0.0146
5	N2    -0.7352    -0.9763     0.0038	N.3	1	noname	0.0738
6	N3     0.6527     2.2719    -0.0325	N.2	1	noname	-0.2095
7	N4    -2.5580     0.5089     0.2457	N.2	1	noname	-0.1575
8	N5    -2.9340    -1.8239     0.1120	N.3	1	noname	-0.1336
9	C1     0.1017     0.1096    -0.0260	C.2	1	noname	0.0087
10	C2    -0.3718     1.4183     0.1027	C.2	1	noname	0.0615
11	C3     2.3244    -0.8928    -0.4000	C.3	1	noname	0.1179
12	C4     1.7416     1.5025    -0.2566	C.2	1	noname	-0.0341
13	C5    -1.7652     1.6257     0.2622	C.2	1	noname	0.1448
14	C6    -2.0890    -0.7840     0.1201	C.2	1	noname	-0.0477
15	C7     3.1965    -2.7970     0.5953	C.3	1	noname	0.0839
16	C8     3.1699    -3.6199     1.7645	C.2	1	noname	-0.0061
17	C9     2.3769    -3.3017     2.7837	C.2	1	noname	-0.0405
18	H1     2.0252    -1.4827    -1.2664	H	1	noname	0.0784
19	H2     3.3337    -0.5101    -0.5521	H	1	noname	0.0784
20	H3     2.6792     1.8690    -0.4211	H	1	noname	0.1016
21	H4    -0.3728    -1.8740    -0.0569	H	1	noname	0.0676
22	H5     2.8973    -3.3869    -0.2711	H	1	noname	0.0627
23	H6     4.2057    -2.4143     0.4433	H	1	noname	0.0627
24	H7    -3.8443    -1.5016     0.2036	H	1	noname	0.1257
25	H8    -2.8446    -2.3067    -0.7246	H	1	noname	0.1257
26	H9     1.8050    -2.4952     2.7329	H	1	noname	0.0550
27	H10     2.3584    -3.8714     3.5931	H	1	noname	0.0550
@<TRIPOS>BOND
1	1	16	1
2	2	11	1
3	2	15	1
4	3	13	2
5	4	9	1
6	4	11	1
7	4	12	1
8	5	9	1
9	5	14	1
10	5	21	1
11	6	10	1
12	6	12	2
13	7	13	1
14	7	14	2
15	8	14	1
16	8	24	1
17	8	25	1
18	9	10	2
19	10	13	1
20	11	18	1
21	11	19	1
22	12	20	1
23	15	16	1
24	15	22	1
25	15	23	1
26	16	17	2
27	17	26	1
28	17	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1