@<TRIPOS>MOLECULE
72941725
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.5046     0.9855    -6.7415	Cl	1	noname	-0.0842
2	O1     0.5941    -3.4566    -1.7495	O.3	1	noname	-0.3518
3	O2    -1.0496    -1.9359     0.5298	O.2	1	noname	-0.2559
4	N1    -1.0068    -0.8157    -1.5627	N.3	1	noname	-0.1169
5	N2     1.8538    -1.6429    -1.0607	N.2	1	noname	-0.2311
6	C1    -0.3490    -0.4338    -2.7867	C.2	1	noname	0.0066
7	C2     1.0996    -0.4878    -3.0048	C.2	1	noname	0.0058
8	C3     2.1146    -0.8064    -2.0122	C.2	1	noname	0.0126
9	C4     0.7586    -2.4524    -0.7592	C.3	1	noname	0.2230
10	C5    -0.4966    -1.6942    -0.5850	C.2	1	noname	0.1600
11	C6     3.4682    -0.2632    -1.8983	C.2	1	noname	-0.0298
12	C7    -1.1395     0.0438    -3.9024	C.2	1	noname	-0.0168
13	C8     1.5461    -0.1977    -4.3288	C.2	1	noname	0.0045
14	C9    -2.3144    -0.2674    -1.2316	C.3	1	noname	-0.0005
15	C10    -0.5952     0.5221    -5.1067	C.2	1	noname	-0.0131
16	C11     0.7787     0.4272    -5.3117	C.2	1	noname	-0.0052
17	C12     4.0350     0.0509    -0.6059	C.2	1	noname	-0.0345
18	C13     4.3785    -0.0009    -2.9856	C.2	1	noname	-0.0345
19	C14     5.2459     0.7687    -0.4422	C.2	1	noname	-0.0532
20	C15     5.5442     0.7877    -2.8565	C.2	1	noname	-0.0532
21	C16     5.9701     1.1917    -1.5753	C.2	1	noname	-0.0523
22	C17     1.7619    -4.2627    -1.8047	C.3	1	noname	0.0388
23	H1     0.9909    -2.9980     0.1681	H	1	noname	0.0967
24	H2    -2.1599     0.0589    -3.8766	H	1	noname	0.0640
25	H3     2.4292    -0.4856    -4.6593	H	1	noname	0.0645
26	H4    -3.0349    -1.0795    -1.1342	H	1	noname	0.0403
27	H5    -2.6353     0.4100    -2.0230	H	1	noname	0.0403
28	H6    -2.2519     0.2778    -0.2898	H	1	noname	0.0403
29	H7    -1.1888     0.9014    -5.8640	H	1	noname	0.0638
30	H8     3.5753    -0.1923     0.2639	H	1	noname	0.0629
31	H9     4.2976    -0.4172    -3.8892	H	1	noname	0.0629
32	H10     5.5928     0.9790     0.4937	H	1	noname	0.0622
33	H11     6.0732     1.0623    -3.6842	H	1	noname	0.0622
34	H12     6.7937     1.7839    -1.4690	H	1	noname	0.0622
35	H13     1.6356    -5.0336    -2.5649	H	1	noname	0.0530
36	H14     1.9254    -4.7323    -0.8347	H	1	noname	0.0530
37	H15     2.6209    -3.6410    -2.0568	H	1	noname	0.0530
@<TRIPOS>BOND
1	1	16	1
2	9	2	1
3	2	22	1
4	3	10	2
5	4	6	1
6	4	10	1
7	4	14	1
8	5	8	2
9	5	9	1
10	6	7	2
11	6	12	1
12	7	8	1
13	7	13	1
14	8	11	1
15	9	10	1
16	9	23	1
17	11	17	2
18	11	18	1
19	12	15	2
20	12	24	1
21	13	16	2
22	13	25	1
23	14	26	1
24	14	27	1
25	14	28	1
26	15	16	1
27	15	29	1
28	17	19	1
29	17	30	1
30	18	20	2
31	18	31	1
32	19	21	2
33	19	32	1
34	20	21	1
35	20	33	1
36	21	34	1
37	22	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1