B16QRO -OEChem-04042103073D 54 58 0 0 0 0 0 0 0999 V2000 0.1699 1.0405 0.1382 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1269 1.0493 -0.0809 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 1.5634 0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8929 -0.1245 -0.4698 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2927 2.2991 -0.8053 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3436 -2.3343 -0.8156 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2478 -2.0731 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4964 -0.5885 -0.1245 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 -1.4092 -0.4361 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9043 -1.7478 0.2013 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9113 -0.2994 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7717 0.5424 1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2363 -1.2850 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8069 1.0692 -1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2666 0.2372 1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7294 -1.5830 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3017 0.7617 -1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5664 -0.7464 1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1393 1.5958 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6014 -0.2221 -1.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5285 0.3836 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.0685 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -1.3161 -0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2804 -0.2276 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6934 0.0680 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 -0.9622 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1324 1.3848 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 -0.6757 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 0.6411 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 1.6713 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 1.3560 1.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0131 0.9216 2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8060 -2.2019 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 1.8224 -1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 -0.4993 2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7165 1.1516 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4866 -1.9921 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4626 -2.3605 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7533 1.7000 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0504 0.4037 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6420 -0.5469 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3249 -1.5019 1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5905 2.5262 0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2074 1.8367 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6777 -0.0132 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3853 -0.6001 -2.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -1.5418 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1943 -2.2098 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -1.9923 0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 2.2285 -0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8122 2.7055 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 1.6257 1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 2.1824 1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2765 0.4519 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 29 1 0 0 0 0 2 31 1 0 0 0 0 3 21 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 47 1 0 0 0 0 9 23 1 0 0 0 0 9 24 2 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 13 33 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 30 2 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$