B28FJT
-OEChem-04012113042D
40 42 0 0 0 0 0 0 0999 V2000
4.0823 -3.3802 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.6956 -0.0285 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 3.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 -3.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0823 -3.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 0.6198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 1.2076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -4.3802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 1.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5823 2.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5855 1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 -0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5366 1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0014 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 2.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7445 0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 4.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 2.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -0.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -0.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -2.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -2.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4566 2.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5895 -0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9973 1.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1302 -0.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5454 -4.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6192 -4.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3151 5.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4490 5.1918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3119 4.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 9 1 0 0 0 0
1 14 1 0 0 0 0
2 25 1 0 0 0 0
3 24 1 0 0 0 0
3 26 1 0 0 0 0
6 24 2 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
8 17 2 0 0 0 0
9 36 1 0 0 0 0
9 37 1 0 0 0 0
10 12 1 0 0 0 0
10 13 2 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 17 1 0 0 0 0
13 27 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 18 1 0 0 0 0
15 28 1 0 0 0 0
16 19 2 0 0 0 0
16 29 1 0 0 0 0
17 24 1 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
20 22 1 0 0 0 0
20 32 1 0 0 0 0
21 23 2 0 0 0 0
21 33 1 0 0 0 0
22 25 2 0 0 0 0
22 34 1 0 0 0 0
23 25 1 0 0 0 0
23 35 1 0 0 0 0
26 38 1 0 0 0 0
26 39 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$