B54IQX -OEChem-04022103212D 128131 0 1 0 0 0 0 0999 V2000 9.1087 -0.5200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1087 0.4800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1953 -4.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3408 -3.3861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3498 -4.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1289 0.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4978 4.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6736 2.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2565 0.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5929 1.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7696 -0.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8584 -2.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7922 4.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 1.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7067 -2.0200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5570 -3.2429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8782 -1.5915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3498 -3.0840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9315 3.6009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8379 2.4775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 0.9021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 1.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1087 -1.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4627 0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0767 3.2046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5728 -2.5200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3098 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9047 -0.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9159 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5728 -3.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9747 -2.0200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8498 -3.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2325 -4.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9747 -1.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6238 -5.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8498 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9157 5.0261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8350 4.0294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0065 -6.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6323 -5.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9107 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8142 -0.0398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0929 5.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7798 2.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6579 3.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8193 5.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 2.1757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3498 -3.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6087 -0.3860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4506 2.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8508 2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2083 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1087 0.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1244 2.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1736 6.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7919 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8498 -2.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4283 2.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0991 3.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1401 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 2.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4944 2.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3089 -2.9450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6752 -2.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8463 -1.5421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4943 -0.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7759 -0.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9168 -0.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2995 -0.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1254 -1.9857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4579 -4.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6920 -2.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6514 -5.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7554 -4.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5853 -1.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1867 -0.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3865 -5.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2648 -1.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9658 5.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 4.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4337 -6.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2437 -7.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5793 -6.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7132 -4.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0176 -5.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5514 -6.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3559 0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6598 -2.5471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4930 5.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8345 5.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6285 2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4213 3.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0849 4.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3795 5.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5536 6.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 1.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3655 2.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7672 -3.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4575 -3.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7794 -0.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5025 1.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6841 3.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9255 3.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2163 1.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5261 0.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5599 3.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7655 3.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7916 6.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2236 7.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5556 6.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3063 0.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7234 -1.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1947 2.0988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9533 2.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5930 1.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0689 0.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 0.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 3.5017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1865 0.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 2.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4926 3.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2670 2.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 54 1 0 0 0 0 3 30 2 0 0 0 0 4 31 2 0 0 0 0 5 37 2 0 0 0 0 6 42 2 0 0 0 0 7 46 2 0 0 0 0 8 52 2 0 0 0 0 9 53 2 0 0 0 0 10 57 2 0 0 0 0 11 58 2 0 0 0 0 12 59 2 0 0 0 0 13 62 2 0 0 0 0 14 67 1 0 0 0 0 14128 1 0 0 0 0 15 26 1 0 0 0 0 15 29 1 0 0 0 0 15 31 1 0 0 0 0 16 30 1 0 0 0 0 16 33 1 0 0 0 0 16 77 1 0 0 0 0 17 32 1 0 0 0 0 17 42 1 0 0 0 0 17 83 1 0 0 0 0 18 37 1 0 0 0 0 18 49 1 0 0 0 0 18 93 1 0 0 0 0 19 39 1 0 0 0 0 19 52 1 0 0 0 0 19 97 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20102 1 0 0 0 0 21 43 1 0 0 0 0 21 53 1 0 0 0 0 21106 1 0 0 0 0 22 48 1 0 0 0 0 22 57 1 0 0 0 0 22116 1 0 0 0 0 23 50 1 0 0 0 0 23 59 1 0 0 0 0 23117 1 0 0 0 0 24 58 1 0 0 0 0 24120 1 0 0 0 0 24121 1 0 0 0 0 25 62 1 0 0 0 0 25126 1 0 0 0 0 25127 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 68 1 6 0 0 0 27 28 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 32 75 1 1 0 0 0 33 34 1 1 0 0 0 33 37 1 0 0 0 0 33 76 1 0 0 0 0 34 36 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 40 1 0 0 0 0 36 41 1 0 0 0 0 36 82 1 0 0 0 0 38 39 1 0 0 0 0 38 44 1 0 0 0 0 38 47 1 6 0 0 0 38 84 1 0 0 0 0 39 46 1 0 0 0 0 39 85 1 6 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 43 1 0 0 0 0 43 58 1 1 0 0 0 43 92 1 0 0 0 0 44 56 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 45 51 1 1 0 0 0 45 53 1 0 0 0 0 45 96 1 0 0 0 0 47 98 1 0 0 0 0 47 99 1 0 0 0 0 47100 1 0 0 0 0 48 52 1 0 0 0 0 48 55 1 1 0 0 0 48101 1 0 0 0 0 49 59 1 0 0 0 0 49103 1 0 0 0 0 49104 1 0 0 0 0 50 54 1 0 0 0 0 50 57 1 0 0 0 0 50105 1 1 0 0 0 51 60 1 0 0 0 0 51107 1 0 0 0 0 51108 1 0 0 0 0 54109 1 0 0 0 0 54110 1 0 0 0 0 55 61 1 0 0 0 0 55111 1 0 0 0 0 55112 1 0 0 0 0 56113 1 0 0 0 0 56114 1 0 0 0 0 56115 1 0 0 0 0 60 62 1 0 0 0 0 60118 1 0 0 0 0 60119 1 0 0 0 0 61 63 2 0 0 0 0 61 64 1 0 0 0 0 63 65 1 0 0 0 0 63122 1 0 0 0 0 64 66 2 0 0 0 0 64123 1 0 0 0 0 65 67 2 0 0 0 0 65124 1 0 0 0 0 66 67 1 0 0 0 0 66125 1 0 0 0 0 M END $$$$