BB78JV
-OEChem-04012112392D
41 43 0 0 0 0 0 0 0999 V2000
4.0823 -3.5875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8080 4.5875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.4877 4.0807 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.3148 3.2672 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.6956 -0.2358 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0823 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 1.0003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5823 1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5855 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 -0.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5366 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0014 -0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7445 0.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6836 0.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 2.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -0.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -0.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -2.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -2.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4566 1.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5895 -0.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4623 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -5.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7023 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9973 1.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1302 -1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 16 1 0 0 0 0
1 24 1 0 0 0 0
2 27 1 0 0 0 0
3 27 1 0 0 0 0
4 27 1 0 0 0 0
5 28 1 0 0 0 0
8 21 2 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 29 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 14 2 0 0 0 0
13 21 1 0 0 0 0
14 30 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 19 1 0 0 0 0
17 31 1 0 0 0 0
18 20 2 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
20 34 1 0 0 0 0
21 27 1 0 0 0 0
22 25 1 0 0 0 0
22 35 1 0 0 0 0
23 26 2 0 0 0 0
23 36 1 0 0 0 0
24 37 1 0 0 0 0
24 38 1 0 0 0 0
24 39 1 0 0 0 0
25 28 2 0 0 0 0
25 40 1 0 0 0 0
26 28 1 0 0 0 0
26 41 1 0 0 0 0
M END
$$$$