B5GIH7 -OEChem-04022106363D 50 54 0 0 0 0 0 0 0999 V2000 8.0281 -0.7407 -0.8817 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2737 0.9268 0.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 -0.9516 1.4935 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 1.3924 1.5632 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3052 -1.3594 -0.0313 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6242 -1.1242 -2.3001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5007 0.7740 -1.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1828 -1.1174 0.6315 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.9676 -2.9419 0.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 0.1027 -0.3219 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 -0.0471 -2.0824 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0772 -1.6932 0.4931 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5640 -0.1725 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 1.0195 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8780 -0.5729 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6314 -0.3121 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 0.8502 0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0770 -0.6934 1.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 -0.2957 1.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 -0.3893 -1.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 -0.5599 2.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 1.8525 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 1.4809 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0502 1.5989 0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5927 0.6617 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 0.5914 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 -0.9797 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 2.9755 -0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1763 2.7405 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 -0.7347 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8442 1.2689 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6605 -1.5133 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9044 -0.9009 0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9963 0.4903 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8743 -1.6264 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5587 -0.1512 -1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -0.2803 2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1987 -0.6744 3.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2852 1.9282 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -0.3756 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7550 -0.2126 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4345 -1.9619 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2362 3.8615 -0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8978 3.4121 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9438 2.3512 0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5584 -2.5956 0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9478 1.0022 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9326 -0.7301 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4831 -2.4238 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -1.9611 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 27 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 18 1 0 0 0 0 3 27 1 0 0 0 0 4 17 2 0 0 0 0 5 30 1 0 0 0 0 5 35 1 0 0 0 0 6 20 2 0 0 0 0 7 26 2 0 0 0 0 8 12 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 11 20 1 0 0 0 0 11 26 1 0 0 0 0 11 40 1 0 0 0 0 12 33 1 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 24 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 36 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 28 2 0 0 0 0 23 25 1 0 0 0 0 23 29 2 0 0 0 0 24 39 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 30 32 1 0 0 0 0 31 34 2 0 0 0 0 31 45 1 0 0 0 0 32 33 2 0 0 0 0 32 46 1 0 0 0 0 33 34 1 0 0 0 0 34 47 1 0 0 0 0 35 48 1 0 0 0 0 35 49 1 0 0 0 0 35 50 1 0 0 0 0 M CHG 2 8 -1 12 1 M END $$$$