B21WDE
-OEChem-04012116052D
40 41 0 0 0 0 0 0 0999 V2000
8.6423 5.9097 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0
2.5937 4.9162 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5073 6.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1053 12.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2393 7.5095 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.3733 5.0095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4028 3.5150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1053 11.0095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2393 6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3733 8.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1053 8.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3733 6.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2393 9.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4246 3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3733 9.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1053 9.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0179 2.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5073 4.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9246 4.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0233 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6056 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6166 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1989 0.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2393 10.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2044 0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4514 5.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8499 6.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8364 7.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6423 7.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8364 9.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6423 9.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9102 4.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3080 4.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6589 2.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2222 1.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5633 0.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7024 10.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9522 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6423 12.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 18 1 0 0 0 0
2 19 1 0 0 0 0
3 12 2 0 0 0 0
4 8 1 0 0 0 0
4 40 1 0 0 0 0
5 9 1 0 0 0 0
5 10 2 0 0 0 0
5 11 1 0 0 0 0
6 12 1 0 0 0 0
6 18 1 0 0 0 0
6 32 1 0 0 0 0
7 14 1 0 0 0 0
7 18 2 0 0 0 0
8 24 2 0 0 0 0
9 12 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 15 1 0 0 0 0
10 28 1 0 0 0 0
11 16 2 0 0 0 0
11 29 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
13 24 1 0 0 0 0
14 17 1 0 0 0 0
14 19 2 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
17 20 2 0 0 0 0
17 21 1 0 0 0 0
19 33 1 0 0 0 0
20 22 1 0 0 0 0
20 34 1 0 0 0 0
21 23 2 0 0 0 0
21 35 1 0 0 0 0
22 25 2 0 0 0 0
22 36 1 0 0 0 0
23 25 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
M CHG 2 1 -1 5 1
M END
$$$$