BO9TI7 -OEChem-04022103243D 46 49 0 0 0 0 0 0 0999 V2000 3.5196 1.3640 -1.6169 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -1.9520 1.4327 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9356 0.6481 -2.7434 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 2.4273 -1.8684 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1787 2.6889 1.7162 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2047 -2.3916 1.3290 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0308 -1.8179 2.4039 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 3.4324 1.5436 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 0.2287 -0.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 0.5943 -0.2876 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3172 0.5693 0.1015 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3956 -2.0009 1.3388 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0749 1.9844 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2282 2.0334 -0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1964 3.1057 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9617 1.4387 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 1.6504 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4701 3.1519 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4575 3.7108 0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9656 2.5587 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 -0.8800 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -2.0880 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1439 -3.3648 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1214 -4.2431 0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0058 -0.4978 -0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9398 -3.6043 1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0488 -1.7567 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6535 -0.2818 -1.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7395 -2.7995 -0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3442 -1.3248 -2.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3872 -2.5837 -1.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 0.5651 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 3.6108 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 4.5804 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 4.2060 2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9971 0.5467 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -0.5452 0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 -1.1679 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 -3.6594 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 3.4553 2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2193 -5.2903 0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7595 -4.0287 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6271 0.6955 -2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7818 -3.7863 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8487 -1.1566 -3.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9251 -3.3956 -2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 12 1 0 0 0 0 7 12 2 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 8 35 1 0 0 0 0 9 21 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 25 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 42 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 29 44 1 0 0 0 0 30 31 2 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 M CHG 2 6 -1 12 1 M END $$$$