L2W7DB
-OEChem-05032300042D
46 49 0 0 0 0 0 0 0999 V2000
5.3301 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0829 -0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0829 3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 0.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 26 1 0 0 0 0
3 26 1 0 0 0 0
4 14 1 0 0 0 0
4 24 1 0 0 0 0
5 18 2 0 0 0 0
6 19 2 0 0 0 0
7 10 1 0 0 0 0
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8 20 1 0 0 0 0
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9 27 3 0 0 0 0
10 11 1 0 0 0 0
10 13 2 0 0 0 0
11 12 1 0 0 0 0
11 16 2 0 0 0 0
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13 14 1 0 0 0 0
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14 15 2 0 0 0 0
15 27 1 0 0 0 0
16 21 1 0 0 0 0
16 34 1 0 0 0 0
17 22 1 0 0 0 0
17 35 1 0 0 0 0
19 23 1 0 0 0 0
20 23 2 0 0 0 0
20 26 1 0 0 0 0
21 22 2 0 0 0 0
21 36 1 0 0 0 0
22 37 1 0 0 0 0
23 39 1 0 0 0 0
24 25 1 0 0 0 0
24 28 2 0 0 0 0
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25 30 1 0 0 0 0
28 31 1 0 0 0 0
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29 32 1 0 0 0 0
29 41 1 0 0 0 0
30 42 1 0 0 0 0
30 43 1 0 0 0 0
30 44 1 0 0 0 0
31 32 2 0 0 0 0
31 45 1 0 0 0 0
32 46 1 0 0 0 0
M END
$$$$