BUM9N1 -OEChem-04022113033D 44 46 0 0 0 0 0 0 0999 V2000 -1.1449 -0.4415 -0.3460 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3483 0.1309 0.5348 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9712 -1.9078 -0.4655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 0.5631 -0.3267 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6892 2.0405 -0.1497 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3236 2.0252 -0.0748 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 -0.8702 -0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9911 -1.4931 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1747 -1.0414 -1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2404 -1.0426 1.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4175 -0.5938 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5072 -1.2657 0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 0.8391 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 0.7983 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3455 3.3185 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 0.3858 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 -0.8572 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4521 1.2309 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 -1.2550 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 0.8331 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -0.4098 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5521 -0.8251 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 -0.1622 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1786 -1.4342 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1156 -1.2748 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0289 -2.5851 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2946 -2.1000 -1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1116 -0.4831 -2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1532 0.0199 1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3143 -1.5926 2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3143 -0.8285 -1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3999 0.4953 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 -2.3422 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3733 -0.8756 1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 3.4499 1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2253 3.3880 -0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 4.1450 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1557 -1.5455 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 2.2020 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 -2.2249 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5058 1.5231 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2427 0.6895 1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1677 -0.3057 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9058 -1.0508 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 22 2 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$