BUI1G6 -OEChem-04012120302D 102106 0 1 0 0 0 0 0999 V2000 9.8224 -9.0197 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.9056 6.5806 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.3023 6.7062 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.9916 5.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -3.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2528 6.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6129 7.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3518 7.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.1077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -7.2150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.3910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8220 3.1494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1241 2.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 0.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4348 3.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4133 3.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7239 4.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -6.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -6.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7024 4.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2243 -7.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0131 5.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2243 -8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 -8.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -8.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 -7.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 -9.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9564 -7.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9564 -8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4590 5.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5914 7.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4095 5.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2593 7.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9021 8.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2378 7.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8806 9.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5485 8.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6158 4.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 2.6989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5318 2.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8555 0.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4488 1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1447 1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7379 2.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8359 1.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2426 1.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 3.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8210 3.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 -0.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 -0.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4338 2.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0271 3.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5467 0.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9534 -0.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7034 5.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1101 4.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -6.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -6.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -6.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -5.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 -1.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 -1.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7230 3.9793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3163 4.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -2.4604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -0.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9925 6.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3993 5.6368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0745 -8.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 -9.4137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 -6.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 -9.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4933 -7.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8394 5.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3717 4.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0292 5.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4969 5.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0667 6.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4880 9.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0732 9.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1551 8.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 35 1 0 0 0 0 5 31 2 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 9 28 1 0 0 0 0 10 26 1 0 0 0 0 10 32 1 0 0 0 0 10 37 1 0 0 0 0 11 27 1 0 0 0 0 11 31 1 0 0 0 0 11 83 1 0 0 0 0 12 53 3 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 16 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 17 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 18 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 19 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 20 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 21 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 27 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 21 29 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 22 26 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 23 25 1 0 0 0 0 23 28 2 0 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 24 33 2 0 0 0 0 25 34 2 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 78 1 0 0 0 0 29 35 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 30 31 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 32 36 2 0 0 0 0 32 41 1 0 0 0 0 33 38 1 0 0 0 0 33 84 1 0 0 0 0 34 39 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 40 1 0 0 0 0 36 42 1 0 0 0 0 37 40 2 0 0 0 0 37 88 1 0 0 0 0 38 39 2 0 0 0 0 38 89 1 0 0 0 0 39 90 1 0 0 0 0 40 91 1 0 0 0 0 41 43 2 0 0 0 0 41 92 1 0 0 0 0 42 44 2 0 0 0 0 42 93 1 0 0 0 0 43 44 1 0 0 0 0 43 94 1 0 0 0 0 45 47 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 48 2 0 0 0 0 46 49 1 0 0 0 0 47 53 1 0 0 0 0 47 97 1 0 0 0 0 47 98 1 0 0 0 0 48 50 1 0 0 0 0 48 99 1 0 0 0 0 49 51 2 0 0 0 0 49100 1 0 0 0 0 50 52 2 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 $$$$