@<TRIPOS>MOLECULE

37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     1.2439    -0.7416    -0.0556	C.3	1	noname	-0.0549
2	N1     0.0089    -0.0430     0.1444	N.3	1	noname	-0.0132
3	C2    -0.1205     1.2923     0.3041	C.2	1	noname	-0.0673
4	C3    -1.4627     1.6442     0.4764	C.2	1	noname	-0.0129
5	C4    -2.1627     0.4384     0.3889	C.2	1	noname	-0.0219
6	C5    -3.5405     0.1530     0.4361	C.2	1	noname	-0.0369
7	C6    -3.9624    -1.1908     0.3607	C.2	1	noname	-0.0535
8	C7    -3.0162    -2.2280     0.2224	C.2	1	noname	-0.0508
9	C8    -1.6414    -1.9311     0.1226	C.2	1	noname	-0.0416
10	C9    -1.2261    -0.5846     0.2058	C.2	1	noname	-0.0710
11	C10    -1.9576     2.9303     0.6885	C.2	1	noname	0.0671
12	C11    -1.5827     4.0655     0.0714	C.2	1	noname	0.0668
13	C12    -2.3265     5.0920     0.5998	C.2	1	noname	0.0704
14	O1    -2.2887     6.3000     0.2742	O.2	1	noname	-0.2861
15	N2    -3.1304     4.5922     1.5404	N.3	1	noname	0.0785
16	C13    -2.9122     3.2758     1.6172	C.2	1	noname	0.0707
17	O2    -3.4715     2.5242     2.4482	O.2	1	noname	-0.2861
18	C14    -0.6173     4.2165    -0.9227	C.2	1	noname	-0.0004
19	C15    -0.7280     3.5963    -2.1963	C.2	1	noname	0.0211
20	C16     0.3263     3.7068    -3.1265	C.2	1	noname	0.0115
21	C17     1.4724     4.4658    -2.8248	C.2	1	noname	0.0072
22	C18     1.5706     5.1128    -1.5805	C.2	1	noname	-0.0186
23	C19     0.5351     4.9896    -0.6386	C.2	1	noname	-0.0161
24	Cl1     2.7259     4.6052    -3.9537	Cl	1	noname	-0.0811
25	Cl2    -2.1036     2.7217    -2.6755	Cl	1	noname	-0.0758
26	H1     1.6819    -0.9894     0.9113	H	1	noname	0.0436
27	H2     1.0565    -1.6581    -0.6151	H	1	noname	0.0436
28	H3     1.9329    -0.1088    -0.6151	H	1	noname	0.0436
29	H4     0.7260     1.9788     0.2952	H	1	noname	0.0798
30	H5    -4.2684     0.9590     0.5293	H	1	noname	0.0629
31	H6    -5.0250    -1.4290     0.4097	H	1	noname	0.0622
32	H7    -3.3495    -3.2654     0.1925	H	1	noname	0.0623
33	H8    -0.9119    -2.7290    -0.0166	H	1	noname	0.0642
34	H9    -3.7889     5.1183     2.0968	H	1	noname	0.1407
35	H10     0.2547     3.2001    -4.0889	H	1	noname	0.0654
36	H11     2.4510     5.7110    -1.3457	H	1	noname	0.0638
37	H12     0.6266     5.4983     0.3210	H	1	noname	0.0630
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	4	5	1
5	5	6	2
6	6	7	1
7	7	8	2
8	8	9	1
9	9	10	2
10	5	10	1
11	2	10	1
12	4	11	1
13	11	12	2
14	12	13	1
15	13	14	2
16	13	15	1
17	15	16	1
18	11	16	1
19	16	17	2
20	12	18	1
21	18	19	2
22	19	20	1
23	20	21	2
24	21	22	1
25	22	23	2
26	18	23	1
27	21	24	1
28	19	25	1
29	1	26	1
30	1	27	1
31	1	28	1
32	3	29	1
33	6	30	1
34	7	31	1
35	8	32	1
36	9	33	1
37	15	34	1
38	20	35	1
39	22	36	1
40	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1