BW4OD5 -OEChem-04022117333D 46 47 0 1 0 0 0 0 0999 V2000 -4.0462 1.9206 0.8543 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0995 -3.2678 -0.5949 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 -1.9216 -0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0114 -0.5352 0.2415 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1556 1.8180 -1.6785 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 2.2573 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 0.7037 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8523 2.1800 -1.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 2.0218 1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6879 0.9037 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1827 0.7451 1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3944 1.2930 -0.5406 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3361 1.1079 0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 0.1831 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -0.4075 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 -1.7793 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 0.6502 0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -1.1404 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2818 -2.9997 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3289 -1.9969 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8773 -0.2063 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6384 -1.5298 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 3.2827 -0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 1.5324 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 2.2852 -2.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 3.0373 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0222 2.8644 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6079 2.0680 1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5072 0.9659 -1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0764 0.0563 -1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 -0.1151 1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6473 0.6902 2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 0.3135 -0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8119 0.6516 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6986 2.0849 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9141 1.1817 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 1.8643 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5445 0.0958 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9741 -1.3551 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9013 0.2073 -0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 -1.5244 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7085 -3.0797 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 -3.8952 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 -2.9661 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8966 0.1576 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4716 -2.1969 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 11 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 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 M END $$$$