B0ANL5 -OEChem-04012114442D 65 70 0 1 0 0 0 0 0999 V2000 12.5767 5.1470 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9202 1.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7663 5.1239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6878 0.0022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8788 1.4035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 0.6604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -4.7259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -4.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -5.4690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3366 2.8015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0292 3.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3904 2.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3904 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1466 3.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3366 1.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0514 3.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5244 2.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7441 4.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5244 0.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0438 4.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0595 2.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 2.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8539 4.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8695 3.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 0.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7667 4.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4589 6.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0959 4.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7096 -0.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3029 -1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 -1.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 -1.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 -2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -2.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 -2.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0827 -3.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6433 3.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0519 4.3727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0856 0.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 0.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4373 3.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0287 3.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5244 3.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3582 4.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7668 5.5339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5244 0.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4779 4.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1232 2.3628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1214 2.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7901 5.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4355 3.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0489 6.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2683 6.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8689 5.8849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6358 4.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6802 3.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5559 3.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9439 -0.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5073 -1.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -2.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 -3.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0424 -6.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 19 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 27 1 0 0 0 0 4 31 2 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 31 1 0 0 0 0 6 60 1 0 0 0 0 7 9 1 0 0 0 0 7 38 2 0 0 0 0 8 10 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 65 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 24 2 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 2 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 22 26 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 51 1 0 0 0 0 25 28 2 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 36 2 0 0 0 0 34 62 1 0 0 0 0 35 37 2 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 M END $$$$