B97INB -OEChem-04022101162D 148154 0 1 0 0 0 0 0999 V2000 12.4251 -1.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3139 3.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9623 4.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9279 2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8833 1.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2247 3.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3037 6.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4931 1.1157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8252 0.3714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4716 0.9095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1791 1.6740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1359 -0.5791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8631 2.6666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1543 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.1627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7822 -0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1144 -0.7853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8312 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8439 2.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5815 3.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5264 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2353 1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6441 1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2082 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4824 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6432 3.2559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -2.1627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9723 2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7840 4.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8346 4.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 -2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3312 -2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8312 -3.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2916 3.7877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 -3.6627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5986 2.8360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -4.6627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8312 -3.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5763 2.6260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -5.1627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9400 4.3194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.6627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2470 3.3677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -4.6627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3312 -3.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6107 5.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 -3.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8312 -4.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -0.6627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.1627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.6627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.6627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3019 0.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3130 -1.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5960 3.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7667 2.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 1.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5740 -1.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1648 -0.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3292 0.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7003 -1.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8937 0.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2243 0.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0737 3.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3159 3.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9595 -0.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2172 -1.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9923 0.8554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7557 1.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9718 2.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1178 1.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 1.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6961 1.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8256 1.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7203 0.7758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8916 0.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6705 0.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0732 0.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4517 3.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3485 1.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5222 2.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3911 4.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9095 5.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1768 4.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2469 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3716 4.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4224 3.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0317 -1.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 -1.9506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2235 -1.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3312 -1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7112 -2.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3312 -2.7827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2486 -3.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 -3.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8758 3.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7889 2.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1412 -2.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1825 2.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -5.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7497 4.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4373 2.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1182 1.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.7827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -3.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -3.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 4.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1588 5.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4895 1.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 -4.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9512 -3.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 -3.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2942 -4.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5212 -5.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3681 -5.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6405 3.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7196 6.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 1 0 0 0 1102 1 0 0 0 0 37 2 1 1 0 0 0 45 2 1 6 0 0 0 38 3 1 6 0 0 0 46 3 1 1 0 0 0 4 45 1 0 0 0 0 4 52 1 0 0 0 0 5 46 1 0 0 0 0 5 53 1 0 0 0 0 47 6 1 1 0 0 0 6121 1 0 0 0 0 48 7 1 6 0 0 0 7122 1 0 0 0 0 50 8 1 6 0 0 0 8127 1 0 0 0 0 51 9 1 1 0 0 0 9128 1 0 0 0 0 54 10 1 1 0 0 0 10135 1 0 0 0 0 55 11 1 6 0 0 0 11136 1 0 0 0 0 12 57 1 0 0 0 0 61 12 1 6 0 0 0 13 58 1 0 0 0 0 13137 1 0 0 0 0 14 61 1 0 0 0 0 14 64 1 0 0 0 0 62 15 1 1 0 0 0 15143 1 0 0 0 0 63 16 1 6 0 0 0 16146 1 0 0 0 0 65 17 1 1 0 0 0 17147 1 0 0 0 0 18 66 1 0 0 0 0 18148 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 19 34 1 1 0 0 0 20 23 1 0 0 0 0 20 29 1 0 0 0 0 20 35 1 6 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 67 1 6 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 22 36 1 1 0 0 0 23 26 1 0 0 0 0 23 28 1 0 0 0 0 23 68 1 1 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 24 69 1 6 0 0 0 25 30 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 32 1 0 0 0 0 26 38 1 0 0 0 0 26 72 1 6 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 75 1 0 0 0 0 29 32 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 37 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 39 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 39 1 0 0 0 0 37 93 1 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 41 99 1 0 0 0 0 41100 1 0 0 0 0 41101 1 0 0 0 0 42 44 1 0 0 0 0 42103 1 0 0 0 0 42104 1 0 0 0 0 43105 1 0 0 0 0 43106 1 0 0 0 0 43107 1 0 0 0 0 44 49 1 0 0 0 0 44108 1 0 0 0 0 44109 1 0 0 0 0 45 47 1 0 0 0 0 45110 1 0 0 0 0 46 48 1 0 0 0 0 46111 1 0 0 0 0 47 50 1 0 0 0 0 47112 1 0 0 0 0 48 51 1 0 0 0 0 48113 1 0 0 0 0 49 56 2 0 0 0 0 49114 1 0 0 0 0 50 54 1 0 0 0 0 50115 1 0 0 0 0 51 55 1 0 0 0 0 51116 1 0 0 0 0 52 54 1 0 0 0 0 52 58 1 6 0 0 0 52117 1 0 0 0 0 53 55 1 0 0 0 0 53 57 1 1 0 0 0 53118 1 0 0 0 0 54119 1 0 0 0 0 55120 1 0 0 0 0 56 59 1 0 0 0 0 56 60 1 0 0 0 0 57123 1 0 0 0 0 57124 1 0 0 0 0 58125 1 0 0 0 0 58126 1 0 0 0 0 59129 1 0 0 0 0 59130 1 0 0 0 0 59131 1 0 0 0 0 60132 1 0 0 0 0 60133 1 0 0 0 0 60134 1 0 0 0 0 61 62 1 0 0 0 0 61138 1 0 0 0 0 62 63 1 0 0 0 0 62139 1 0 0 0 0 63 65 1 0 0 0 0 63140 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 6 0 0 0 64141 1 0 0 0 0 65142 1 0 0 0 0 66144 1 0 0 0 0 66145 1 0 0 0 0 M END $$$$