D0WT2Z -OEChem-10101305022D 96102 0 1 0 0 0 0 0999 V2000 4.8884 0.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3025 1.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3766 4.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 2.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1562 0.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 2.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4919 4.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9073 0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 4.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 -1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0755 -4.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 -4.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8205 6.8737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3528 -3.1020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 2.2497 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9875 2.2523 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6844 3.2008 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1844 1.6619 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6844 3.2008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3754 2.2497 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8473 1.2532 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2939 3.1980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3281 2.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4902 3.7830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0915 0.6245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4174 1.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 4.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8817 4.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1432 0.1935 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3006 0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8762 3.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4749 4.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0426 -0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 5.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 -0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4385 6.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 -2.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1311 7.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1311 7.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2598 -4.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9825 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7982 -6.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7052 -7.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 -5.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5210 -7.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5228 -6.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4298 -7.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 2.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3497 3.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 4.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6545 0.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2752 2.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7985 1.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9891 1.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6075 2.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9859 2.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 4.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 4.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5951 3.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2651 4.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 -0.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 0.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7055 0.9797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 0.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 4.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7627 0.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7057 3.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0413 5.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 5.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9086 4.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8114 3.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4928 3.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 4.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -0.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -1.4183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6594 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 -1.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8954 -0.9676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 6.6831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0278 6.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9391 -2.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2717 -3.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7676 8.3264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 8.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9162 -2.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 -5.5078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7172 -6.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1418 -7.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7647 -5.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4633 -8.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0862 -6.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9355 -7.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 65 1 0 0 0 0 3 17 1 0 0 0 0 3 68 1 0 0 0 0 4 20 1 0 0 0 0 4 69 1 0 0 0 0 5 21 1 0 0 0 0 5 70 1 0 0 0 0 6 22 1 0 0 0 0 6 71 1 0 0 0 0 24 7 1 6 0 0 0 7 35 1 0 0 0 0 25 8 1 6 0 0 0 8 36 1 0 0 0 0 9 35 2 0 0 0 0 10 36 2 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 43 2 0 0 0 0 13 37 1 0 0 0 0 13 41 1 0 0 0 0 13 83 1 0 0 0 0 14 40 1 0 0 0 0 14 43 1 0 0 0 0 14 89 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 28 1 6 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 30 1 0 0 0 0 25 54 1 0 0 0 0 26 31 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 30 64 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 2 0 0 0 0 38 40 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 42 1 0 0 0 0 39 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 41 42 2 0 0 0 0 41 87 1 0 0 0 0 42 88 1 0 0 0 0 44 45 1 0 0 0 0 44 90 1 0 0 0 0 44 91 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 92 1 0 0 0 0 47 49 2 0 0 0 0 47 93 1 0 0 0 0 48 50 2 0 0 0 0 48 94 1 0 0 0 0 49 50 1 0 0 0 0 49 95 1 0 0 0 0 50 96 1 0 0 0 0 M END $$$$