B2RVT1 -OEChem-04022112033D 48 50 0 0 0 0 0 0 0999 V2000 1.5939 -0.4643 -1.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1024 0.4340 0.0463 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6622 -1.6989 -0.1198 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7716 1.4980 -0.0769 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1737 2.4140 -0.0146 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 2.5968 0.3074 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6834 1.4552 -0.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7609 0.2431 -0.2905 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2980 1.6732 0.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7604 3.4388 1.1935 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1777 -1.0572 1.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 -3.9925 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1052 -2.9783 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3974 -0.7454 -1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 0.5836 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5943 -3.4354 1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8724 -5.3542 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 1.1858 -0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 0.6599 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 1.3580 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0037 1.0742 -1.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0852 2.2228 0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7633 0.3295 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3069 1.0146 0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -1.0482 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 0.2816 1.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -1.6889 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5836 -4.1477 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3132 -3.4055 -1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9828 -2.8276 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 -0.6196 -1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 -1.1574 -1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 -1.8421 0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4846 -3.2139 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -4.1595 2.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 -2.5181 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7605 -5.2680 -0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -6.0619 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0638 -5.7779 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5879 2.3553 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 1.9905 -1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9127 0.4729 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 2.0887 0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5146 -1.6153 -1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 3.8067 1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4572 4.0507 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4419 0.7687 2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7896 -2.7625 0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 33 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 40 1 0 0 0 0 8 20 2 0 0 0 0 9 22 2 0 0 0 0 10 22 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 26 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$