Ketcher 08211817052D 1 1.00000 0.00000 0 134140 0 1 0 999 V2000 37.5598 -20.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8163 -19.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5598 -21.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3823 -20.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7045 -21.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8163 -18.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4152 -22.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2376 -20.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0268 -17.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6715 -17.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2376 -21.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4152 -23.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0601 -20.3914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0268 -16.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1714 -18.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6715 -16.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4941 -18.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0601 -22.2995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.5928 -23.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2706 -23.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8163 -16.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1714 -16.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3160 -18.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4941 -16.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9154 -21.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7702 -23.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5928 -24.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3160 -19.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4607 -18.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3165 -15.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9154 -20.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.7379 -22.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7702 -25.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4607 -20.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1714 -20.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6054 -18.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3165 -14.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1719 -16.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6054 -19.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4607 -21.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1714 -21.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7499 -18.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1719 -14.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.4941 -14.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9943 -15.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1389 -17.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7499 -20.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0268 -21.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3160 -21.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9943 -14.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8497 -16.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8497 -14.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.7049 -14.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4945 -14.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3499 -14.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4945 -13.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.2053 -14.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3827 -15.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.5010 -12.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0605 -14.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7008 -11.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.3803 -12.0251 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 45.9159 -14.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.7713 -14.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6265 -14.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.4820 -14.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5228 -15.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6806 -16.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.7057 -17.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8926 -17.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9175 -18.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0754 -19.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1005 -20.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2873 -20.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3281 -21.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0137 -20.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4414 -22.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2706 -22.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.6388 -14.8975 0.0000 O 0 0 0 0 0 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0 0 0 0 0 0 0 30.3882 -26.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8550 -25.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7104 -27.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9996 -24.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9996 -23.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1113 -22.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1113 -21.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9996 -25.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1113 -24.8984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8550 -22.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9996 -26.3788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9996 -27.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1113 -27.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8550 -27.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2569 -17.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7503 -16.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3026 -17.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8291 -18.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2569 -15.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8091 -16.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3225 -18.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8421 -18.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3026 -15.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8552 -16.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7832 -14.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7702 -14.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2964 -13.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7634 -14.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2569 -13.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2964 -15.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8091 -14.7634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7895 -14.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2961 -13.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2961 -15.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2835 -15.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 6 2 1 1 0 0 3 7 1 0 0 0 4 8 1 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 7 11 1 0 0 0 7 12 1 0 0 0 8 13 1 6 0 0 9 14 1 0 0 0 9 15 1 1 0 0 10 16 1 0 0 0 10 17 1 6 0 0 11 18 1 1 0 0 12 19 1 0 0 0 12 20 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