B6ESN7 -OEChem-04022110312D 53 56 0 0 0 0 0 0 0999 V2000 5.5097 2.5416 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0398 0.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 -0.4023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -2.9758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1446 -0.3827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9011 4.0862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6132 -1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 0.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0745 -2.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 2.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 2.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -3.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 3.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2697 0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2697 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1758 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4603 -4.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1758 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9078 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1564 -0.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 -1.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5314 -2.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5666 -1.7555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 0.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 2.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4549 -4.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 -3.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -2.3264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 -2.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 3.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 4.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -0.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 3.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9376 -4.3727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -5.2289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -5.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 -3.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -4.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5227 -4.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7115 2.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 4.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3606 3.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2157 0.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4459 1.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5999 1.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 23 1 0 0 0 0 2 27 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 10 2 0 0 0 0 6 20 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 2 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 22 1 0 0 0 0 17 33 1 0 0 0 0 18 24 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 25 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 26 2 0 0 0 0 22 41 1 0 0 0 0 23 26 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$