BH2R5E -OEChem-04012119512D 102106 0 1 0 0 0 0 0999 V2000 14.4088 -1.5698 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.4197 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.8104 1.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -2.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -3.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -3.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -0.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 0.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4088 0.6772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.4463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -2.1784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3877 3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6103 4.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4322 3.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8772 5.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6991 4.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1208 3.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9216 5.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8983 2.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6313 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4339 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1906 0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 -0.4463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4339 -1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1906 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0846 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0846 -1.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9907 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -1.3123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9907 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -3.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -4.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -5.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6340 -5.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3660 -4.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2498 3.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1816 4.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9466 5.4831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9380 3.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7150 3.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3714 6.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5944 6.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 4.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3627 3.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6921 3.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4572 3.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8446 5.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3024 5.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3270 2.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5619 1.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2026 1.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9677 2.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6701 -0.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8294 -1.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4339 -1.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0774 1.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6900 0.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0774 -2.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5264 0.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8800 -1.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5264 -1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5826 -0.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8923 0.1643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 -2.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 -1.8493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 0.9566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 -1.8493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 0.9566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4631 -5.9525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3100 -6.1794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5369 -5.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 -4.7395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 -5.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9440 -5.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 -4.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9030 -3.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0560 -3.7395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 0.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -0.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 3.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.6148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 4.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 3 23 2 0 0 0 0 4 30 2 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 36 2 0 0 0 0 7 45 1 0 0 0 0 8 46 1 0 0 0 0 9 97 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 30 1 0 0 0 0 12 74 1 0 0 0 0 32 13 1 1 0 0 0 13 36 1 0 0 0 0 13 81 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 53 1 0 0 0 0 15 17 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 18 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 20 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 20 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 21 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 22 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 25 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 27 29 2 0 0 0 0 28 31 1 0 0 0 0 28 73 1 0 0 0 0 29 33 1 0 0 0 0 29 75 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 31 76 1 0 0 0 0 32 34 1 0 0 0 0 32 77 1 0 0 0 0 33 78 1 0 0 0 0 34 35 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 37 42 1 0 0 0 0 37 43 1 0 0 0 0 37 44 1 0 0 0 0 38 40 1 0 0 0 0 38 82 1 0 0 0 0 39 41 2 0 0 0 0 39 83 1 0 0 0 0 40 45 2 0 0 0 0 40 84 1 0 0 0 0 41 45 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 46 47 1 0 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 48 98 1 0 0 0 0 49 51 2 0 0 0 0 49 99 1 0 0 0 0 50 52 2 0 0 0 0 50100 1 0 0 0 0 51 52 1 0 0 0 0 51101 1 0 0 0 0 52102 1 0 0 0 0 M END $$$$