B1SKE2 -OEChem-04012114042D 49 53 0 1 0 0 0 0 0999 V2000 6.6145 6.0017 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 -1.0507 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4267 3.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 -1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 2.0017 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5267 -0.3462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7485 3.5017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0104 4.0017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7374 5.7569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -6.2184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1145 0.4628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1145 0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 3.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 3.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 4.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 5.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7485 4.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4267 4.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -1.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -2.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -3.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -3.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -5.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -6.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5021 0.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0497 -0.1538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7210 0.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4955 1.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 1.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9899 1.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7335 1.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 -0.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2115 4.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 -3.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 -2.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3441 5.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3233 6.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -3.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -5.4742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -6.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 24 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 18 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 12 6 1 1 0 0 0 6 18 1 0 0 0 0 6 40 1 0 0 0 0 7 16 2 0 0 0 0 7 22 1 0 0 0 0 8 23 2 0 0 0 0 9 23 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 30 2 0 0 0 0 10 32 1 0 0 0 0 11 31 1 0 0 0 0 11 32 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 22 41 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$