B9O3KE
-OEChem-04022109132D
49 52 0 0 0 0 0 0 0999 V2000
7.2764 1.7094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.3600 1.7706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.8545 -0.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 0.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3600 0.0386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0624 -1.9101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8600 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3600 0.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8600 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4532 -1.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1964 -2.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0918 -3.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2400 -0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 -0.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4800 -0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4800 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 2.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2400 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0500 -0.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9426 0.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2523 0.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8468 -1.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4752 -3.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0270 -4.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7084 -3.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 12 1 0 0 0 0
2 11 2 0 0 0 0
3 6 1 0 0 0 0
3 20 1 0 0 0 0
4 8 2 0 0 0 0
4 13 1 0 0 0 0
5 11 1 0 0 0 0
5 15 1 0 0 0 0
5 35 1 0 0 0 0
6 24 2 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 17 1 0 0 0 0
14 16 2 0 0 0 0
14 36 1 0 0 0 0
15 20 1 0 0 0 0
15 37 1 0 0 0 0
15 38 1 0 0 0 0
16 18 1 0 0 0 0
16 19 1 0 0 0 0
17 18 2 0 0 0 0
17 39 1 0 0 0 0
18 40 1 0 0 0 0
19 22 2 0 0 0 0
19 23 1 0 0 0 0
20 21 2 0 0 0 0
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21 41 1 0 0 0 0
22 25 1 0 0 0 0
22 42 1 0 0 0 0
23 26 2 0 0 0 0
23 43 1 0 0 0 0
24 28 1 0 0 0 0
25 27 2 0 0 0 0
25 44 1 0 0 0 0
26 27 1 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
28 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
M END
$$$$