BY0B9N
-OEChem-04012115402D
48 49 0 0 0 0 0 0 0999 V2000
5.5211 -1.0003 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0902 -0.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -1.9514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2423 -2.7604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0558 -4.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -0.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1391 -1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6491 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.4495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 -0.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 -0.8155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 0.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 1.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0560 1.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 1.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2181 3.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 4.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 4.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 3.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 2.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1946 -2.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
1 24 1 0 0 0 0
2 11 1 0 0 0 0
2 47 1 0 0 0 0
3 23 2 0 0 0 0
4 23 1 0 0 0 0
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4 48 1 0 0 0 0
5 24 2 0 0 0 0
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6 25 3 0 0 0 0
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8 10 1 0 0 0 0
8 17 1 0 0 0 0
8 18 1 0 0 0 0
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9 11 2 0 0 0 0
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10 11 1 0 0 0 0
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13 27 1 0 0 0 0
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20 21 1 0 0 0 0
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21 46 1 0 0 0 0
22 23 1 0 0 0 0
M END
$$$$