D00OCS -OEChem-10101305022D 163165 0 1 0 0 0 0 0999 V2000 4.4026 -10.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -11.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -9.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 -8.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4217 -2.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 0.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5108 2.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6109 5.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 7.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -11.8769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 -7.6148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -13.4864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -11.6817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -13.1817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -14.6817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 -1.5825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 0.8531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2257 3.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2591 5.9338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3148 8.5790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 4.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1034 0.2243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1925 5.3050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3814 9.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0744 14.4017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 5.2882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 3.5947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7516 0.7566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3885 -0.9369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8407 5.8374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4777 4.1438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0963 10.3690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7332 8.6754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -10.6190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -10.9264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 -9.6190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -9.3084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 -8.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -12.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -12.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -13.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0474 -6.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7178 -5.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4104 -4.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -13.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0809 -4.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -12.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7735 -3.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8070 -0.8405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8626 1.8047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8961 4.2402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4439 -2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7847 -1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8848 2.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8739 4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4996 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 2.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9518 6.8854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5775 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5887 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4552 -0.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5443 4.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6666 8.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6222 7.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 3.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4330 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5221 4.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9852 9.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6779 10.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3483 11.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6888 8.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0409 11.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7113 12.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4039 13.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 4.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0811 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1703 5.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 9.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8425 -11.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3764 -11.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8463 -9.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -9.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 -10.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 -9.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -12.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 -7.7448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 -6.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 -6.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0987 -6.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 -5.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0296 -4.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -5.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4617 -4.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6288 -3.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -11.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 -2.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2256 -3.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9975 -1.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4689 1.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2899 4.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -14.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -14.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 -1.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 -1.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2707 1.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8621 1.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5303 -1.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6406 3.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3991 3.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7762 0.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 6.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6194 3.6282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1916 3.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 3.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6884 0.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9299 0.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3599 7.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9513 6.4754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7775 5.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0191 5.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8654 5.8038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2807 8.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6893 8.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9856 3.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1997 -1.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9582 -0.8472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2888 3.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0473 4.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3661 8.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5332 9.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 10.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1299 9.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7086 8.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7291 10.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8962 11.3047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 8.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6661 7.6366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 12.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4930 11.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0922 12.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2592 12.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0231 14.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8560 13.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8838 14.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6806 14.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 5.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4228 5.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 3.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8347 3.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3578 0.6267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5610 1.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 -1.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9729 -1.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4469 5.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6501 6.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0839 4.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0620 3.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4901 10.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 10.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 8.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 8.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 37 1 0 0 0 0 34 2 1 1 0 0 0 2 84 1 0 0 0 0 36 3 1 1 0 0 0 3 85 1 0 0 0 0 4 38 2 0 0 0 0 5 52 2 0 0 0 0 6 56 2 0 0 0 0 7 57 2 0 0 0 0 8 60 2 0 0 0 0 9 65 2 0 0 0 0 35 10 1 6 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 38 1 0 0 0 0 11 42 1 0 0 0 0 11 87 1 0 0 0 0 12 40 2 0 0 0 0 12 41 1 0 0 0 0 13 39 2 0 0 0 0 13 47 1 0 0 0 0 14 45 1 0 0 0 0 14 47 2 0 0 0 0 15 45 1 0 0 0 0 15102 1 0 0 0 0 15103 1 0 0 0 0 49 16 1 6 0 0 0 16 52 1 0 0 0 0 16108 1 0 0 0 0 50 17 1 1 0 0 0 17 56 1 0 0 0 0 17111 1 0 0 0 0 51 18 1 6 0 0 0 18 57 1 0 0 0 0 18113 1 0 0 0 0 58 19 1 1 0 0 0 19 60 1 0 0 0 0 19122 1 0 0 0 0 20 65 1 0 0 0 0 20 69 1 0 0 0 0 20135 1 0 0 0 0 21 66 1 0 0 0 0 21 76 2 0 0 0 0 22 67 1 0 0 0 0 22 77 2 0 0 0 0 23 68 1 0 0 0 0 23 78 2 0 0 0 0 24 72 1 0 0 0 0 24 79 2 0 0 0 0 25 75 1 0 0 0 0 25146 1 0 0 0 0 25147 1 0 0 0 0 26 76 1 0 0 0 0 26148 1 0 0 0 0 26149 1 0 0 0 0 27 76 1 0 0 0 0 27150 1 0 0 0 0 27151 1 0 0 0 0 28 77 1 0 0 0 0 28152 1 0 0 0 0 28153 1 0 0 0 0 29 77 1 0 0 0 0 29154 1 0 0 0 0 29155 1 0 0 0 0 30 78 1 0 0 0 0 30156 1 0 0 0 0 30157 1 0 0 0 0 31 78 1 0 0 0 0 31158 1 0 0 0 0 31159 1 0 0 0 0 32 79 1 0 0 0 0 32160 1 0 0 0 0 32161 1 0 0 0 0 33 79 1 0 0 0 0 33162 1 0 0 0 0 33163 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 80 1 0 0 0 0 35 81 1 0 0 0 0 36 37 1 0 0 0 0 36 82 1 0 0 0 0 37 38 1 6 0 0 0 37 83 1 0 0 0 0 39 41 1 0 0 0 0 40 86 1 0 0 0 0 41 45 2 0 0 0 0 42 43 1 0 0 0 0 42 88 1 0 0 0 0 42 89 1 0 0 0 0 43 44 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 46 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 46 48 1 0 0 0 0 46 94 1 0 0 0 0 46 95 1 0 0 0 0 47 96 1 0 0 0 0 48 52 1 0 0 0 0 48 97 1 0 0 0 0 48 98 1 0 0 0 0 49 53 1 0 0 0 0 49 56 1 0 0 0 0 49 99 1 0 0 0 0 50 54 1 0 0 0 0 50 57 1 0 0 0 0 50100 1 0 0 0 0 51 55 1 0 0 0 0 51 60 1 0 0 0 0 51101 1 0 0 0 0 53 61 1 0 0 0 0 53104 1 0 0 0 0 53105 1 0 0 0 0 54 59 1 0 0 0 0 54106 1 0 0 0 0 54107 1 0 0 0 0 55 63 1 0 0 0 0 55109 1 0 0 0 0 55110 1 0 0 0 0 58 62 1 0 0 0 0 58 65 1 0 0 0 0 58112 1 0 0 0 0 59 66 1 0 0 0 0 59114 1 0 0 0 0 59115 1 0 0 0 0 61 67 1 0 0 0 0 61116 1 0 0 0 0 61117 1 0 0 0 0 62 64 1 0 0 0 0 62118 1 0 0 0 0 62119 1 0 0 0 0 63 68 1 0 0 0 0 63120 1 0 0 0 0 63121 1 0 0 0 0 64 72 1 0 0 0 0 64123 1 0 0 0 0 64124 1 0 0 0 0 66125 1 0 0 0 0 66126 1 0 0 0 0 67127 1 0 0 0 0 67128 1 0 0 0 0 68129 1 0 0 0 0 68130 1 0 0 0 0 69 70 1 0 0 0 0 69131 1 0 0 0 0 69132 1 0 0 0 0 70 71 1 0 0 0 0 70133 1 0 0 0 0 70134 1 0 0 0 0 71 73 1 0 0 0 0 71136 1 0 0 0 0 71137 1 0 0 0 0 72138 1 0 0 0 0 72139 1 0 0 0 0 73 74 1 0 0 0 0 73140 1 0 0 0 0 73141 1 0 0 0 0 74 75 1 0 0 0 0 74142 1 0 0 0 0 74143 1 0 0 0 0 75144 1 0 0 0 0 75145 1 0 0 0 0 M END $$$$