BKMA86 -OEChem-04022105182D 59 61 0 0 0 0 0 0 0999 V2000 19.9376 -0.4453 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9376 -2.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5212 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5212 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5212 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1412 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5212 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 31 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 24 2 0 0 0 0 4 30 2 0 0 0 0 5 32 1 0 0 0 0 5 59 1 0 0 0 0 6 32 2 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 7 49 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 8 53 1 0 0 0 0 9 18 1 0 0 0 0 9 30 1 0 0 0 0 9 55 1 0 0 0 0 10 21 1 0 0 0 0 10 31 2 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 22 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 25 2 0 0 0 0 15 28 1 0 0 0 0 16 32 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 26 2 0 0 0 0 19 27 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 29 1 0 0 0 0 22 26 1 0 0 0 0 22 46 1 0 0 0 0 23 27 2 0 0 0 0 23 47 1 0 0 0 0 25 48 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 54 1 0 0 0 0 31 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$