DR00608 -OEChem-04261904352D 40 42 0 1 0 0 0 0 0999 V2000 2.0000 -0.9746 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5393 0.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7233 2.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6064 0.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6064 -0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9841 1.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9506 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6562 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6227 1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1778 0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8835 0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8164 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 1.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 1.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 1.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1241 2.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4945 2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7739 0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3395 -0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4827 0.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 12 2 0 0 0 0 3 17 1 0 0 0 0 3 35 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 10 7 1 6 0 0 0 7 16 1 0 0 0 0 7 31 1 0 0 0 0 18 8 1 6 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 1 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$