B6JE8K
-OEChem-04012116052D
43 44 0 0 0 0 0 0 0999 V2000
8.6423 6.3665 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0
2.5937 5.8298 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5073 7.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1053 12.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2393 8.4230 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.3733 5.9230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4028 4.4285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1053 11.9230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2393 7.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0179 3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4246 4.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3733 6.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3733 8.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1053 8.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2044 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5073 5.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6056 2.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0233 3.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2393 10.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3733 9.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1053 9.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1989 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6166 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9246 5.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7977 0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2393 11.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4514 6.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8499 7.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8364 8.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6423 8.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2222 2.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6589 3.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9102 5.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8364 10.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6423 10.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5633 1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3080 5.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2313 0.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3640 0.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7024 11.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6423 13.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 16 1 0 0 0 0
2 24 1 0 0 0 0
3 12 2 0 0 0 0
4 8 1 0 0 0 0
4 43 1 0 0 0 0
5 9 1 0 0 0 0
5 13 2 0 0 0 0
5 14 1 0 0 0 0
6 12 1 0 0 0 0
6 16 1 0 0 0 0
6 33 1 0 0 0 0
7 11 1 0 0 0 0
7 16 2 0 0 0 0
8 26 2 0 0 0 0
9 12 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 17 2 0 0 0 0
10 18 1 0 0 0 0
11 24 2 0 0 0 0
13 20 1 0 0 0 0
13 29 1 0 0 0 0
14 21 2 0 0 0 0
14 30 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
15 25 1 0 0 0 0
17 22 1 0 0 0 0
17 31 1 0 0 0 0
18 23 2 0 0 0 0
18 32 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
19 26 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
25 41 1 0 0 0 0
26 42 1 0 0 0 0
M CHG 2 1 -1 5 1
M END
$$$$