B12OHR -OEChem-04012114432D 95 96 0 1 0 0 0 0 0999 V2000 9.0327 -3.8045 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6603 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 -2.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -3.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0109 -4.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9706 -1.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1275 -3.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2631 -4.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 45 1 0 0 0 0 23 2 1 1 0 0 0 2 76 1 0 0 0 0 3 21 2 0 0 0 0 4 25 2 0 0 0 0 5 28 2 0 0 0 0 6 31 2 0 0 0 0 7 41 1 0 0 0 0 7 94 1 0 0 0 0 8 41 2 0 0 0 0 9 48 1 0 0 0 0 9 95 1 0 0 0 0 10 48 2 0 0 0 0 17 11 1 6 0 0 0 11 28 1 0 0 0 0 11 58 1 0 0 0 0 20 12 1 1 0 0 0 12 21 1 0 0 0 0 12 59 1 0 0 0 0 19 13 1 1 0 0 0 13 25 1 0 0 0 0 13 63 1 0 0 0 0 14 31 1 0 0 0 0 34 14 1 1 0 0 0 14 73 1 0 0 0 0 29 15 1 1 0 0 0 15 82 1 0 0 0 0 15 83 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 1 0 0 0 16 49 1 0 0 0 0 17 21 1 0 0 0 0 17 50 1 0 0 0 0 18 27 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 51 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 31 1 0 0 0 0 23 60 1 0 0 0 0 24 30 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 26 32 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 29 33 1 0 0 0 0 29 69 1 0 0 0 0 30 36 2 0 0 0 0 30 37 1 0 0 0 0 32 39 2 0 0 0 0 33 38 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 34 41 1 0 0 0 0 34 72 1 0 0 0 0 35 40 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 42 1 0 0 0 0 36 77 1 0 0 0 0 37 43 2 0 0 0 0 37 78 1 0 0 0 0 38 48 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 44 1 0 0 0 0 39 81 1 0 0 0 0 40 47 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 42 46 2 0 0 0 0 42 86 1 0 0 0 0 43 46 1 0 0 0 0 43 87 1 0 0 0 0 44 45 2 0 0 0 0 44 88 1 0 0 0 0 45 89 1 0 0 0 0 46 90 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 M END $$$$