D05MCS -OEChem-04152110142D 89 93 0 0 0 0 0 0 0999 V2000 10.1851 4.4634 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 4.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 5.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5102 -4.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 1.9034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8674 -2.5624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 3.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 3.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8241 3.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 4.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 5.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4580 4.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8494 5.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 5.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7729 4.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5387 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8279 -0.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8709 -0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1601 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1816 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5137 -2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8244 -2.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5352 -1.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1565 -3.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -3.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -5.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -5.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3504 2.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0406 2.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5676 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 1.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5141 2.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3610 2.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1341 3.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 4.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5551 4.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 3.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3109 6.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4353 6.4135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3879 5.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6756 5.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7230 6.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8475 6.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3589 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3115 4.1258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3461 1.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4346 -0.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7680 4.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2642 -0.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3527 -2.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4311 -3.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3426 -1.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 -4.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2034 -5.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3678 -4.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6915 -5.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7389 -6.4135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 -6.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 71 1 0 0 0 0 3 23 1 0 0 0 0 3 33 1 0 0 0 0 4 19 2 0 0 0 0 5 40 1 0 0 0 0 5 45 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 35 2 0 0 0 0 7 43 1 0 0 0 0 8 37 1 0 0 0 0 8 40 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 20 24 2 0 0 0 0 20 57 1 0 0 0 0 21 23 2 0 0 0 0 21 58 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 30 1 0 0 0 0 28 69 1 0 0 0 0 29 31 2 0 0 0 0 29 70 1 0 0 0 0 30 32 2 0 0 0 0 30 72 1 0 0 0 0 31 32 1 0 0 0 0 31 73 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 36 76 1 0 0 0 0 37 77 1 0 0 0 0 38 41 2 0 0 0 0 38 78 1 0 0 0 0 39 40 1 0 0 0 0 39 79 1 0 0 0 0 41 42 1 0 0 0 0 41 80 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 45 46 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 M END $$$$