LAQB68 -OEChem-05022323353D 36 38 0 1 0 0 0 0 0999 V2000 -2.4914 1.6856 0.5579 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6592 -1.2016 0.5302 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8845 -1.4454 -0.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 0.1182 -0.2927 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.9483 -0.6999 -0.3557 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 -0.5833 0.1306 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8611 0.5692 0.3862 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 2.0525 -0.3098 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 -1.2875 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6293 -1.4620 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2553 1.1969 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5931 -0.4693 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1704 0.7601 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 0.4030 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5268 0.3715 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 1.6975 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7526 -0.2285 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 1.0662 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9468 -0.3125 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2715 0.2842 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 -2.5148 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 -1.9307 -0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 -1.6356 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 -1.3205 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9923 -2.4813 -0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 2.0047 -0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 1.6018 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3597 2.5194 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0826 1.4793 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 1.3558 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4105 1.2511 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2945 0.4195 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0854 -0.3832 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4529 -2.5342 1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -2.8966 -0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9908 -3.1702 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 19 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 15 2 0 0 0 0 6 14 1 0 0 0 0 6 17 2 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 29 1 0 0 0 0 8 16 1 0 0 0 0 8 18 2 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 14 16 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$