@<TRIPOS>MOLECULE
50430359
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.3498     6.2692     0.3876	Cl	1	noname	-0.0841
2	C1     3.8367     4.8478    -0.3795	C.2	1	noname	-0.0097
3	C2     3.3650     3.6195     0.0688	C.2	1	noname	-0.0160
4	C3     4.7095     4.9048    -1.4598	C.2	1	noname	-0.0266
5	C4     3.7662     2.4483    -0.5632	C.2	1	noname	-0.0340
6	C5     5.1106     3.7336    -2.0918	C.2	1	noname	-0.0483
7	C6     4.6390     2.5054    -1.6435	C.2	1	noname	-0.0464
8	C7     3.2708     1.1581    -0.0924	C.3	1	noname	0.0837
9	N1     4.3985     0.3242     0.3202	N.3	1	noname	-0.3181
10	C8     2.5427     0.4938    -1.1695	C.2	1	noname	-0.0048
11	N2     1.2022     0.6833    -1.3337	N.2	1	noname	-0.2162
12	N3     3.1840    -0.3386    -2.0463	N.3	1	noname	0.0435
13	C9     0.5248     0.0940    -2.3634	C.2	1	noname	0.0444
14	C10     2.5622    -0.9857    -3.0841	C.2	1	noname	0.0514
15	C11     1.1792    -0.7880    -3.2952	C.2	1	noname	0.0336
16	C12    -0.8537     0.3947    -2.4634	C.2	1	noname	-0.0002
17	O1     3.2131    -1.7430    -3.8358	O.2	1	noname	-0.2887
18	C13     0.4246    -1.4752    -4.2895	C.2	1	noname	0.0135
19	C14    -1.5850    -0.2810    -3.4650	C.2	1	noname	-0.0128
20	C15    -0.9981    -1.2665    -4.3262	C.2	1	noname	-0.0208
21	C16    -1.9033    -2.1741    -4.9897	C.2	1	noname	0.0099
22	C17    -3.2169    -1.9580    -5.4246	C.2	1	noname	0.0275
23	C18    -1.7290    -3.5496    -5.1802	C.2	1	noname	-0.0740
24	N4    -3.7469    -3.1335    -5.8128	N.2	1	noname	-0.2990
25	N5    -2.8701    -4.0668    -5.6716	N.3	1	noname	-0.0307
26	H1     2.6806     3.5747     0.9160	H	1	noname	0.0641
27	H2     5.0793     5.8680    -1.8113	H	1	noname	0.0638
28	H3     5.7950     3.7784    -2.9390	H	1	noname	0.0623
29	H4     4.9535     1.5869    -2.1392	H	1	noname	0.0626
30	H5     2.6028     1.3134     0.7549	H	1	noname	0.0592
31	H6     4.2679    -0.6672     0.4627	H	1	noname	0.1194
32	H7     5.3081     0.7394     0.4627	H	1	noname	0.1194
33	H8     4.1754    -0.4842    -1.9199	H	1	noname	0.1387
34	H9    -1.3309     1.1148    -1.7987	H	1	noname	0.0645
35	H10     0.9195    -2.1387    -4.9986	H	1	noname	0.0638
36	H11    -2.6405    -0.0330    -3.5773	H	1	noname	0.0629
37	H12    -3.7515    -1.0086    -5.4564	H	1	noname	0.0863
38	H13    -0.8325    -4.1347    -4.9751	H	1	noname	0.0813
39	H14    -3.0462    -5.0336    -5.9051	H	1	noname	0.1747
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	8	5	1
8	6	7	1
9	8	9	1
10	8	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	12	14	1
15	13	15	2
16	13	16	1
17	14	17	2
18	14	15	1
19	15	18	1
20	16	19	2
21	18	20	2
22	19	20	1
23	20	21	1
24	21	22	1
25	21	23	2
26	22	24	2
27	23	25	1
28	24	25	1
29	3	26	1
30	4	27	1
31	6	28	1
32	7	29	1
33	8	30	1
34	9	31	1
35	9	32	1
36	12	33	1
37	16	34	1
38	18	35	1
39	19	36	1
40	22	37	1
41	23	38	1
42	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1