B4XDV5 -OEChem-04012115582D 97101 0 0 0 0 0 0 0999 V2000 6.2935 -0.6970 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1006 7.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5647 5.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6568 3.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9448 8.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4688 6.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 10.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4409 10.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5493 2.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7006 0.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1653 -2.1936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0217 0.3097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0255 -0.6903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9666 5.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8326 5.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0566 5.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0486 3.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8487 3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 3.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9666 6.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8326 7.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6986 5.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6986 6.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8006 3.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 2.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8166 8.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6086 7.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 8.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8173 2.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 8.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5846 -6.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 -7.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 -5.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -8.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 -5.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -8.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 -4.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6979 9.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -9.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 -3.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5645 8.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 10.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8858 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5729 9.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6891 1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -10.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 -2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2345 6.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6294 11.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -11.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1614 -1.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 5.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 4.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4385 4.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 3.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4041 2.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7989 -7.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1947 -6.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 -6.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 -7.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 -5.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9706 -5.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9386 -8.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3345 -8.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 -5.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 -5.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -8.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 -8.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2266 -3.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 -4.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0784 -10.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 -9.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5193 -4.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9152 -3.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0979 8.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1016 5.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4239 0.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1996 3.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 -9.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -10.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0869 -2.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -2.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9245 7.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6976 6.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5445 5.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2494 11.2160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6270 11.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0094 11.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -11.2160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -11.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 -11.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7034 -2.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8189 10.7738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9766 9.8557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0897 2.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5636 -0.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 52 2 0 0 0 0 2 20 1 0 0 0 0 2 49 1 0 0 0 0 3 22 1 0 0 0 0 3 77 1 0 0 0 0 4 24 1 0 0 0 0 4 79 1 0 0 0 0 5 26 2 0 0 0 0 6 27 2 0 0 0 0 7 39 1 0 0 0 0 7 94 1 0 0 0 0 8 45 1 0 0 0 0 8 95 1 0 0 0 0 9 46 1 0 0 0 0 9 96 1 0 0 0 0 10 46 2 0 0 0 0 11 48 1 0 0 0 0 11 52 1 0 0 0 0 11 93 1 0 0 0 0 12 13 1 0 0 0 0 12 44 2 0 0 0 0 13 52 1 0 0 0 0 13 97 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 25 2 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 23 27 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 57 1 0 0 0 0 26 28 1 0 0 0 0 27 31 1 0 0 0 0 28 31 1 0 0 0 0 28 39 2 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 44 1 0 0 0 0 31 42 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 35 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 37 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 38 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 40 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 41 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 43 1 0 0 0 0 40 47 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 41 48 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 45 1 0 0 0 0 42 76 1 0 0 0 0 43 45 2 0 0 0 0 43 50 1 0 0 0 0 44 78 1 0 0 0 0 47 51 1 0 0 0 0 47 80 1 0 0 0 0 47 81 1 0 0 0 0 48 82 1 0 0 0 0 48 83 1 0 0 0 0 49 84 1 0 0 0 0 49 85 1 0 0 0 0 49 86 1 0 0 0 0 50 87 1 0 0 0 0 50 88 1 0 0 0 0 50 89 1 0 0 0 0 51 90 1 0 0 0 0 51 91 1 0 0 0 0 51 92 1 0 0 0 0 M END $$$$