BK3MR2 -OEChem-04022106533D 39 41 0 1 0 0 0 0 0999 V2000 -4.4806 1.6660 0.1672 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 1.6722 -0.2824 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8045 -0.9928 -0.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2898 1.9078 0.7756 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 1.5564 0.7284 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7164 -0.5700 -0.2837 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8534 0.2365 -0.9109 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2088 -1.4566 0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9971 -0.6753 -1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 0.4106 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 1.3088 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5289 -2.1137 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -1.7738 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 0.0420 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 1.0360 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1758 -1.2953 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1038 0.6926 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 -1.6387 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4896 -0.6447 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5587 3.0135 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.3813 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -1.2076 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 0.7850 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2939 -0.8783 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 -2.2471 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7171 -1.1427 -2.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9027 -0.0893 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 -2.9076 1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 -2.3102 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 2.6997 1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 2.0592 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -2.0999 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 -2.6966 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4343 3.6589 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 3.3270 0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 3.1619 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 -2.4754 -0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6855 -2.9531 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 -2.7869 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 30 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 8 12 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$