B3OJ1M
-OEChem-04022108512D
41 42 0 0 0 0 0 0 0999 V2000
6.3301 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3 20 1 0 0 0 0
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6 13 1 0 0 0 0
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8 24 1 0 0 0 0
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9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
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16 18 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
17 36 1 0 0 0 0
18 19 2 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
M END
$$$$