B8MJ1R
-OEChem-04022109132D
46 48 0 1 0 0 0 0 0999 V2000
2.0000 -1.0521 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.4479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0372 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6230 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.0521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 1.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9029 4.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4756 4.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4756 5.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1846 5.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1846 4.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7685 6.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8917 6.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 -4.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 -5.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -5.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 11 1 0 0 0 0
2 13 1 0 0 0 0
3 11 2 0 0 0 0
4 26 1 0 0 0 0
4 46 1 0 0 0 0
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6 7 1 0 0 0 0
6 11 1 0 0 0 0
6 34 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 27 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 10 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
12 14 1 0 0 0 0
12 22 1 0 0 0 0
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13 17 1 0 0 0 0
13 23 2 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
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15 20 2 0 0 0 0
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16 17 2 0 0 0 0
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18 20 1 0 0 0 0
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19 21 2 0 0 0 0
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21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
23 25 1 0 0 0 0
23 43 1 0 0 0 0
24 25 2 0 0 0 0
24 44 1 0 0 0 0
25 45 1 0 0 0 0
M END
$$$$