D0P1UW -OEChem-04152108373D 48 49 0 1 0 0 0 0 0999 V2000 3.6785 -2.2009 1.0441 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 -0.7152 -1.3777 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1951 -2.3537 1.3674 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3603 -3.4770 0.5612 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4679 -1.4184 2.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 3.0548 1.4189 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5461 3.0523 -0.7253 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7126 -1.1483 -0.4001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.9842 0.1782 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8624 0.5200 1.4389 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 1.2023 -1.2547 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1260 0.2083 -0.2961 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3299 1.3625 -0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6347 0.0886 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5519 1.0754 0.1014 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5790 0.7993 -2.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 0.1149 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 0.1149 1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 1.8414 0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5117 -0.5495 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8493 -0.2792 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5828 0.7637 1.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 2.5372 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2141 -1.3575 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9085 -0.7786 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2633 -1.8638 -1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5891 -1.5776 -1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 2.1855 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 0.5496 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8598 0.4193 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 2.0931 -1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 0.7704 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 -0.1867 -2.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 0.8073 -2.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0672 1.5172 -3.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9193 0.3719 2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -0.9076 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 1.5969 0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -1.5796 -1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0445 2.7446 0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6803 2.0790 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3813 1.0758 1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3998 1.3770 2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6966 0.8752 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -1.5903 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9410 -0.5563 -0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0397 -2.4875 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3885 -1.9814 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 2 14 2 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 8 12 1 0 0 0 0 8 39 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 38 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 19 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 22 43 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M CHG 3 3 -1 4 -1 6 -1 M END $$$$