D00719 -OEChem-05072121572D 176185 0 1 0 0 0 0 0999 V2000 9.5173 0.3451 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.8967 0.5349 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1153 -5.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -7.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 -4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 1.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0190 0.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5822 1.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1775 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 6.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0655 4.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8202 4.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6916 3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1775 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -7.0210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5795 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 3.0521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3115 3.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 3.2416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8407 5.4840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -6.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2493 -6.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3833 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -4.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1153 -6.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3833 -3.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5173 -3.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3833 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -3.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3833 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6512 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9814 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1153 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1153 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1153 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 2.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6512 2.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6512 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0532 1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0532 2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9192 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5794 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7852 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5794 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3924 3.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 3.5004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3115 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 4.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 2.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 5.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 4.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5795 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0995 4.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 6.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 4.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5795 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3115 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4600 4.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3115 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 7.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7124 -6.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1712 -4.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7727 -5.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7124 -4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6523 -5.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9803 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3833 -5.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7633 -6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3833 -6.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1143 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9202 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2633 -7.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1933 -7.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6714 -7.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5183 -6.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2914 -6.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7862 -7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1837 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3867 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9803 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3822 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8463 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6523 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 3.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1831 3.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8117 3.4439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 2.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6148 0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0443 1.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1816 1.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3822 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1164 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 2.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0368 4.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8305 3.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5795 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5065 3.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5126 2.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 4.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 4.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2504 4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 5.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4444 4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9690 3.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8484 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9268 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7570 -0.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4444 5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 2.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 5.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 6.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8847 6.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0984 5.5135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 4.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 4.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8484 5.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 4.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 4.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 3.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2791 5.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 5.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3105 7.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2092 4.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1775 7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 62 1 0 0 0 0 2 64 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 39 4 1 6 0 0 0 41 4 1 6 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 37 6 1 1 0 0 0 6120 1 0 0 0 0 42 7 1 1 0 0 0 7123 1 0 0 0 0 45 8 1 1 0 0 0 8 49 1 0 0 0 0 44 9 1 6 0 0 0 9124 1 0 0 0 0 10 48 1 0 0 0 0 10125 1 0 0 0 0 11 50 1 0 0 0 0 11 57 1 0 0 0 0 12 51 1 0 0 0 0 12 58 1 0 0 0 0 13 56 2 0 0 0 0 14 59 2 0 0 0 0 66 15 1 1 0 0 0 15156 1 0 0 0 0 69 16 1 6 0 0 0 16157 1 0 0 0 0 17 77 2 0 0 0 0 18 79 2 0 0 0 0 19 81 2 0 0 0 0 20 84 2 0 0 0 0 21 92 1 0 0 0 0 21173 1 0 0 0 0 22 91 2 0 0 0 0 23 96 1 0 0 0 0 23174 1 0 0 0 0 24 98 1 0 0 0 0 24175 1 0 0 0 0 25 98 2 0 0 0 0 26100 1 0 0 0 0 26176 1 0 0 0 0 36 27 1 1 0 0 0 27115 1 0 0 0 0 27116 1 0 0 0 0 28 55 1 0 0 0 0 28 59 1 0 0 0 0 28129 1 0 0 0 0 29 56 1 0 0 0 0 29 60 1 0 0 0 0 29130 1 0 0 0 0 30 61 1 0 0 0 0 30 79 1 0 0 0 0 30143 1 0 0 0 0 31 71 1 0 0 0 0 31 77 1 0 0 0 0 31146 1 0 0 0 0 67 32 1 1 0 0 0 32 84 1 0 0 0 0 32147 1 0 0 0 0 33 81 1 0 0 0 0 33 88 1 0 0 0 0 33155 1 0 0 0 0 80 34 1 6 0 0 0 34 99 1 0 0 0 0 34159 1 0 0 0 0 35 91 1 0 0 0 0 35170 1 0 0 0 0 35171 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 43 1 0 0 0 0 37 40 1 0 0 0 0 37102 1 0 0 0 0 38 39 1 0 0 0 0 38103 1 0 0 0 0 38104 1 0 0 0 0 39105 1 0 0 0 0 40 47 1 1 0 0 0 40106 1 0 0 0 0 41 42 1 0 0 0 0 41 45 1 0 0 0 0 41107 1 0 0 0 0 42 44 1 0 0 0 0 42108 1 0 0 0 0 43109 1 0 0 0 0 43110 1 0 0 0 0 43111 1 0 0 0 0 44 46 1 0 0 0 0 44112 1 0 0 0 0 45113 1 0 0 0 0 46 48 1 1 0 0 0 46114 1 0 0 0 0 47117 1 0 0 0 0 47118 1 0 0 0 0 47119 1 0 0 0 0 48121 1 0 0 0 0 48122 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 50 52 2 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52126 1 0 0 0 0 53 54 2 0 0 0 0 53127 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55128 1 6 0 0 0 57 62 2 0 0 0 0 57 63 1 0 0 0 0 58 64 2 0 0 0 0 58 65 1 0 0 0 0 59 61 1 0 0 0 0 60 76 1 0 0 0 0 60 77 1 0 0 0 0 60131 1 1 0 0 0 61 78 1 1 0 0 0 61132 1 0 0 0 0 62 72 1 0 0 0 0 63 73 2 0 0 0 0 63133 1 0 0 0 0 64 74 1 0 0 0 0 65 75 2 0 0 0 0 65134 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66136 1 0 0 0 0 67 79 1 0 0 0 0 67135 1 0 0 0 0 68 72 2 0 0 0 0 68 73 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 69137 1 0 0 0 0 70 74 2 0 0 0 0 70 75 1 0 0 0 0 71 81 1 0 0 0 0 71138 1 1 0 0 0 72139 1 0 0 0 0 73140 1 0 0 0 0 74141 1 0 0 0 0 75142 1 0 0 0 0 76 83 2 0 0 0 0 76 86 1 0 0 0 0 78 91 1 0 0 0 0 78144 1 0 0 0 0 78145 1 0 0 0 0 80 82 1 0 0 0 0 80 84 1 0 0 0 0 80148 1 0 0 0 0 82 85 1 0 0 0 0 82149 1 0 0 0 0 82150 1 0 0 0 0 83 87 1 0 0 0 0 83151 1 0 0 0 0 85 94 1 0 0 0 0 85 95 1 0 0 0 0 85152 1 0 0 0 0 86 93 2 0 0 0 0 86153 1 0 0 0 0 87 89 1 0 0 0 0 87 92 2 0 0 0 0 88 90 1 0 0 0 0 88 98 1 6 0 0 0 88154 1 0 0 0 0 89 90 2 0 0 0 0 89 96 1 0 0 0 0 90 97 1 0 0 0 0 92 93 1 0 0 0 0 93158 1 0 0 0 0 94160 1 0 0 0 0 94161 1 0 0 0 0 94162 1 0 0 0 0 95163 1 0 0 0 0 95164 1 0 0 0 0 95165 1 0 0 0 0 96101 2 0 0 0 0 97100 2 0 0 0 0 97166 1 0 0 0 0 99167 1 0 0 0 0 99168 1 0 0 0 0 99169 1 0 0 0 0 100101 1 0 0 0 0 101172 1 0 0 0 0 M END $$$$