L3W6RQ -OEChem-05032300582D 107113 0 1 0 0 0 0 0999 V2000 14.3447 10.0704 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.8245 4.2021 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 -3.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -7.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4225 -5.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6621 -10.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4214 5.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9483 7.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2932 7.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 -2.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 -6.1707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5802 4.2759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -8.8007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0802 6.4665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8068 3.6787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1663 3.9895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6944 3.1145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 -1.2562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 -7.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9501 -7.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1726 -8.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2614 -7.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4267 -5.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 -5.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -4.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 -4.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2674 1.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2925 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7037 5.6847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4567 5.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5622 2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6792 4.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9978 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4395 -9.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4812 4.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5371 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4664 5.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0802 6.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0228 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0765 4.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8319 3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2138 -3.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6786 5.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7162 3.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 -4.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7281 -1.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1016 4.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6463 7.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9520 6.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5336 -2.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 -3.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9946 2.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4835 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9734 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4584 -2.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6491 7.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2096 8.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 8.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7757 9.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7785 9.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2430 8.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -6.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5693 -7.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0272 -6.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -8.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7439 -8.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2983 0.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8826 1.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 1.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6773 1.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9085 6.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5313 2.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9470 2.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0287 -0.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6130 0.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5680 1.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1523 2.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 -9.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9919 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4076 -0.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8010 4.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2167 3.5333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7095 5.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2938 5.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6595 -4.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7590 -1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3433 -1.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2285 3.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4837 6.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6331 7.1605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4203 6.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7164 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -2.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5654 3.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5472 2.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4238 2.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 -0.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 -1.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8683 -2.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2998 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8279 8.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5970 8.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1250 9.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8355 7.8581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4258 8.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6506 8.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 61 1 0 0 0 0 2 33 1 0 0 0 0 2 41 1 0 0 0 0 3 43 1 0 0 0 0 3 54 1 0 0 0 0 4 23 2 0 0 0 0 5 24 2 0 0 0 0 6 25 2 0 0 0 0 7 35 2 0 0 0 0 8 48 2 0 0 0 0 9 55 1 0 0 0 0 9 62 1 0 0 0 0 10 55 2 0 0 0 0 11 56 2 0 0 0 0 20 12 1 1 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 33 1 0 0 0 0 13 36 1 0 0 0 0 13 45 1 0 0 0 0 14 23 1 0 0 0 0 14 35 1 0 0 0 0 14 79 1 0 0 0 0 15 30 1 0 0 0 0 15 39 2 0 0 0 0 16 42 1 0 0 0 0 16 48 1 0 0 0 0 16 89 1 0 0 0 0 17 18 1 0 0 0 0 17 36 2 0 0 0 0 18 45 2 0 0 0 0 19 47 1 0 0 0 0 19 56 1 0 0 0 0 19 98 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 63 1 0 0 0 0 21 22 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 35 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 34 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 36 1 0 0 0 0 30 44 1 1 0 0 0 30 72 1 0 0 0 0 31 33 2 0 0 0 0 31 38 1 0 0 0 0 31 39 1 0 0 0 0 32 37 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 34 40 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 37 42 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 41 2 0 0 0 0 38 50 1 0 0 0 0 39 49 1 0 0 0 0 40 47 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 41 48 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 43 51 2 0 0 0 0 44 55 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 45 53 1 0 0 0 0 46 52 2 0 0 0 0 46 86 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 49 57 2 0 0 0 0 49 58 1 0 0 0 0 50 90 1 0 0 0 0 50 91 1 0 0 0 0 50 92 1 0 0 0 0 51 52 1 0 0 0 0 51 93 1 0 0 0 0 52 94 1 0 0 0 0 53 95 1 0 0 0 0 53 96 1 0 0 0 0 53 97 1 0 0 0 0 54 56 1 0 0 0 0 54 99 1 0 0 0 0 54100 1 0 0 0 0 57 59 1 0 0 0 0 57101 1 0 0 0 0 58 60 2 0 0 0 0 58102 1 0 0 0 0 59 61 2 0 0 0 0 59103 1 0 0 0 0 60 61 1 0 0 0 0 60104 1 0 0 0 0 62105 1 0 0 0 0 62106 1 0 0 0 0 62107 1 0 0 0 0 M END $$$$