BVE4A8 -OEChem-04022108362D 78 81 0 1 0 0 0 0 0999 V2000 11.1008 -2.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -1.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4295 -6.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -1.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0282 -5.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8329 3.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 -2.9971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2348 -1.1607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 -3.5971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1008 3.3393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9668 4.8393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3688 -2.6607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2642 -3.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4552 -2.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2861 -3.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2348 -2.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 -2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 -3.7016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6105 -4.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1008 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 -5.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1008 0.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2348 0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9668 0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2348 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9668 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1008 2.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9668 3.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8329 5.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6989 4.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8329 6.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5649 5.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6989 3.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6989 6.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5649 6.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 -2.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3290 -4.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8842 -3.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7652 -1.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9536 -1.8895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7197 -4.1153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4777 -4.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8393 -4.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6979 -0.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0412 -5.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1245 -4.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -4.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3129 -1.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7114 -0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -2.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8512 -3.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6979 0.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5038 0.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 -6.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6979 2.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5038 2.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -0.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5639 3.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 0.5587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 0.7280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4299 5.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2959 6.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1018 5.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0789 3.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6989 3.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3189 3.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6989 7.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1018 6.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 22 1 0 0 0 0 3 62 1 0 0 0 0 4 21 2 0 0 0 0 5 22 2 0 0 0 0 6 36 2 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 52 1 0 0 0 0 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0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 43 2 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 M END $$$$