BE50XS
-OEChem-04022105232D
36 38 0 0 0 0 0 0 0999 V2000
7.5643 -2.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 2.0334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 0.1312 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.5643 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5643 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 1.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3733 2.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0643 3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0643 3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7553 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4303 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6983 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4303 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6983 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 1.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9673 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1613 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9673 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1613 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0571 0.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 3.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9443 -3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 -3.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1843 -3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5164 0.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6493 2.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 12 1 0 0 0 0
1 22 1 0 0 0 0
2 25 1 0 0 0 0
3 25 1 0 0 0 0
4 25 1 0 0 0 0
7 8 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
8 10 2 0 0 0 0
9 10 1 0 0 0 0
9 13 2 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 14 1 0 0 0 0
14 19 2 0 0 0 0
14 20 1 0 0 0 0
15 17 1 0 0 0 0
15 26 1 0 0 0 0
16 18 2 0 0 0 0
16 27 1 0 0 0 0
17 28 1 0 0 0 0
18 29 1 0 0 0 0
19 23 1 0 0 0 0
19 30 1 0 0 0 0
20 24 2 0 0 0 0
20 31 1 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
22 32 1 0 0 0 0
22 33 1 0 0 0 0
22 34 1 0 0 0 0
23 35 1 0 0 0 0
24 36 1 0 0 0 0
M END
$$$$