B3IKT1 -OEChem-04012114412D 53 57 0 0 0 0 0 0 0999 V2000 4.2690 2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7988 -2.0215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 0.5766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -1.0942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 0.5153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.2105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3866 -2.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3866 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3377 -2.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3377 -1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -2.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 -1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 -1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 0.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 0.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 0.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8497 -3.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6388 -3.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6388 -0.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8497 -0.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4666 -3.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9543 -2.4567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9543 -1.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4666 -0.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2162 -2.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9065 -2.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 -1.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4188 -0.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 1.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 -1.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 1.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 -1.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 1.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 -1.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 14 2 0 0 0 0 3 17 1 0 0 0 0 4 19 1 0 0 0 0 4 22 1 0 0 0 0 4 48 1 0 0 0 0 5 19 2 0 0 0 0 5 23 1 0 0 0 0 6 30 1 0 0 0 0 6 52 1 0 0 0 0 6 53 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 26 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$