B6C9ME -OEChem-04022110593D 41 42 0 0 0 0 0 0 0999 V2000 0.1240 3.5041 2.4162 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 1.8894 -2.1214 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1629 3.1589 -2.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 1.3028 1.8148 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4072 -3.8291 -1.2935 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2079 -1.2921 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 0.0973 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7341 -1.2801 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1368 0.0761 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2828 -2.6751 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 1.4475 -0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 2.3988 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8016 -2.6735 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 2.3094 1.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2903 3.4418 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 0.2330 1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1233 -0.9558 1.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2915 0.3682 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -2.0093 1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 -0.6853 -0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1896 -1.8741 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8615 -2.9529 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 -1.6403 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 -2.0024 -0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 0.4576 -1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 0.8057 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0461 -0.5843 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 -0.9133 -0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8384 -0.6053 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 -0.3161 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8794 -3.0373 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9596 -3.3773 -0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2363 -2.3481 -0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1585 -2.0034 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1725 -3.6803 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7747 4.3933 -0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 1.2533 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8065 -1.0738 2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2097 1.2968 -0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9603 -2.9298 1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 -0.5585 -1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 15 2 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 37 1 0 0 0 0 5 22 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 36 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 M END $$$$