D0R9IU
-OEChem-10191522582D
52 55 0 1 0 0 0 0 0999 V2000
3.4030 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.5991 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7036 1.0055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5127 2.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7331 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0010 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6818 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1818 1.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9451 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3437 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4685 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9340 0.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7984 1.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 51 1 0 0 0 0
29 52 1 0 0 0 0
M END
$$$$