B8VR0C
-OEChem-04022107062D
46 49 0 0 0 0 0 0 0999 V2000
4.0159 3.8874 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -2.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3671 0.6514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6761 -0.2997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3671 0.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0580 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7793 1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9548 1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7848 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1860 2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9494 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5481 2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1970 2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5982 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -3.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5372 2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1359 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6037 3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1304 3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4684 -0.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 -2.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5326 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8026 2.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2015 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9315 2.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 -3.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5804 2.1001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8504 3.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -4.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1538 2.1001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8837 3.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4948 3.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 -2.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 -2.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 13 1 0 0 0 0
2 28 1 0 0 0 0
3 29 1 0 0 0 0
3 46 1 0 0 0 0
4 29 2 0 0 0 0
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28 44 1 0 0 0 0
28 45 1 0 0 0 0
M END
$$$$