D05XCV -OEChem-10101305022D 87 91 0 1 0 0 0 0 0999 V2000 3.9639 1.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -2.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 4.0890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.5732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.3546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.5827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -0.9421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 3.1112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6120 3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 3.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 4.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 4.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.8288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8994 2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.8165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6103 0.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 5.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -2.0989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2619 -2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -3.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 4.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 4.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6388 -3.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 4.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -4.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9960 -5.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -4.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 -5.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 3.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 2.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 2.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 4.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 3.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3165 5.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4911 5.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 2.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4457 3.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 1.4154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 5.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9027 6.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 5.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 -1.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -0.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 3.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 2.7303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -2.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 -3.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 5.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 4.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 5.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7215 -4.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8099 -2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1775 -0.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 -0.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 -6.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8918 -4.2039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3886 -5.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 21 2 0 0 0 0 4 26 2 0 0 0 0 5 36 2 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 16 1 0 0 0 0 18 7 1 1 0 0 0 7 56 1 0 0 0 0 20 8 1 1 0 0 0 8 21 1 0 0 0 0 8 65 1 0 0 0 0 9 26 1 0 0 0 0 28 9 1 6 0 0 0 9 67 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 69 1 0 0 0 0 11 36 1 0 0 0 0 11 83 1 0 0 0 0 11 84 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 55 1 0 0 0 0 19 25 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 20 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 27 1 0 0 0 0 24 29 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