BV2UR3
-OEChem-04022102172D
49 52 0 1 0 0 0 0 0999 V2000
2.0000 2.7655 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
11.8893 0.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9067 2.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 2.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8712 -1.1828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1667 1.3995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 1.7655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1781 -0.8694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1667 0.3995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6279 0.8995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2157 0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0052 -1.6828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9758 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 0.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6144 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2157 1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2131 -2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2076 -2.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0917 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7192 0.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3464 1.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6788 -0.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4679 -0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9728 -1.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0453 0.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7356 0.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1513 -2.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9788 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6683 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5965 -2.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2131 -3.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0787 -3.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7973 -2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0817 2.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2933 3.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2933 0.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0817 0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 13 2 0 0 0 0
3 16 2 0 0 0 0
4 19 2 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
5 15 1 0 0 0 0
6 9 1 0 0 0 0
6 16 1 0 0 0 0
6 38 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 24 3 0 0 0 0
9 11 1 0 0 0 0
9 13 1 6 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 1 0 0 0
10 16 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 17 1 0 0 0 0
12 24 1 1 0 0 0
12 33 1 0 0 0 0
14 19 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 18 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
17 18 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
20 22 1 0 0 0 0
20 43 1 0 0 0 0
20 44 1 0 0 0 0
21 23 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
22 23 2 0 0 0 0
22 25 1 0 0 0 0
23 26 1 0 0 0 0
25 27 2 0 0 0 0
25 47 1 0 0 0 0
26 28 2 0 0 0 0
26 48 1 0 0 0 0
27 28 1 0 0 0 0
28 49 1 0 0 0 0
M END
$$$$