B5QB7R -OEChem-04022105292D 56 59 0 1 0 0 0 0 0999 V2000 10.1643 -2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 -2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4836 -1.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2049 -1.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6284 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7624 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5662 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6527 0.4067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9836 -0.3364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4323 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4617 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7624 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1345 0.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6459 -0.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8308 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0337 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0512 1.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3159 1.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8383 1.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 1.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -1.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5673 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5673 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -1.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4978 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2949 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5673 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1654 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 6 34 1 0 0 0 0 6 56 1 0 0 0 0 7 34 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 9 35 1 0 0 0 0 10 14 1 6 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 18 25 1 0 0 0 0 18 43 1 0 0 0 0 19 26 2 0 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 20 27 2 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 30 1 0 0 0 0 24 31 2 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 32 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 30 34 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 33 1 0 0 0 0 31 53 1 0 0 0 0 32 33 2 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$