D06KKS -OEChem-10191522532D 43 45 0 1 0 0 0 0 0999 V2000 3.7320 -1.0254 0.0000 S 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 7.5393 -0.0159 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 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 5.6064 0.4787 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 -0.5254 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 7.9841 -1.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 0.9746 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 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 10.1778 -0.2108 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 10.8835 -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 6.1503 -1.8367 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 2.6540 -1.1080 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 2.3100 1.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1476 -2.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9171 -2.7040 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 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 10.6864 0.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 0.3516 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 11.4827 -0.7601 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 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 11 2 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 4 43 1 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 10 7 1 1 0 0 0 7 15 1 0 0 0 0 7 27 1 0 0 0 0 16 8 1 1 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 6 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$