BO1HB9
-OEChem-04022101142D
44 47 0 1 0 0 0 0 0999 V2000
4.7760 -4.7921 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.0617 -1.4025 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3174 -2.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8060 -0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1114 3.9261 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.3938 -0.6582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 2.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3796 2.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4634 3.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6649 3.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1334 4.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6114 4.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7295 -2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4189 -3.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7080 -1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0867 -3.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3759 -2.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0652 -3.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4756 1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9981 2.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1167 3.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8849 3.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2028 2.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0856 3.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3175 4.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5974 4.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0060 0.5036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2001 2.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3933 0.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0951 -1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1483 4.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9214 5.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0744 5.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8122 -3.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9006 -1.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9826 -2.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4793 -4.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 3 2 0 0 0 0
2 4 2 0 0 0 0
2 6 1 0 0 0 0
2 20 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
5 19 1 0 0 0 0
6 13 1 0 0 0 0
6 18 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
7 15 1 0 0 0 0
8 10 1 0 0 0 0
8 16 1 0 0 0 0
9 11 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 12 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 34 1 0 0 0 0
16 35 1 0 0 0 0
17 18 2 0 0 0 0
17 36 1 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 41 1 0 0 0 0
22 24 2 0 0 0 0
22 42 1 0 0 0 0
23 25 2 0 0 0 0
24 25 1 0 0 0 0
24 43 1 0 0 0 0
25 44 1 0 0 0 0
M END
$$$$