BE06XR
-OEChem-04022102282D
50 51 0 1 0 0 0 0 0999 V2000
1.4037 4.0925 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.3998 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3998 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 4.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9070 3.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9003 4.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6678 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5338 6.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2716 3.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4684 10.2913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6678 5.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8018 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8018 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9357 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9357 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5338 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0418 3.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0418 5.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5338 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1357 4.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1357 5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5338 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6678 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3998 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3998 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6678 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3998 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5338 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2047 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2003 6.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4032 6.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4032 3.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2003 3.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0490 2.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0490 6.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6000 5.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9969 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2740 2.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1308 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9368 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7098 6.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9368 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0898 7.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1308 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9368 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5338 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0053 10.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9314 10.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4684 9.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 9 1 0 0 0 0
2 16 2 0 0 0 0
3 19 2 0 0 0 0
4 47 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
7 19 1 0 0 0 0
8 16 1 0 0 0 0
8 25 1 0 0 0 0
8 37 1 0 0 0 0
9 20 1 0 0 0 0
9 38 1 0 0 0 0
10 48 1 0 0 0 0
10 49 1 0 0 0 0
10 50 1 0 0 0 0
11 12 1 0 0 0 0
11 16 1 1 0 0 0
11 29 1 0 0 0 0
12 14 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 15 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 15 2 0 0 0 0
14 18 1 0 0 0 0
15 17 1 0 0 0 0
17 20 2 0 0 0 0
17 34 1 0 0 0 0
18 21 2 0 0 0 0
18 35 1 0 0 0 0
19 22 1 0 0 0 0
20 21 1 0 0 0 0
21 36 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 26 1 0 0 0 0
23 39 1 0 0 0 0
24 27 2 0 0 0 0
24 40 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
26 28 2 0 0 0 0
26 44 1 0 0 0 0
27 28 1 0 0 0 0
27 45 1 0 0 0 0
28 46 1 0 0 0 0
M END
$$$$