BU0A1O -OEChem-04022106103D 51 55 0 0 0 0 0 0 0999 V2000 -7.1805 -2.6529 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2729 0.1493 -0.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -2.5648 -0.3237 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6308 1.4563 1.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0744 4.0013 -0.9343 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4353 -0.5194 -0.5635 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -0.6309 1.0153 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 -0.3016 -0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0252 -1.8925 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5450 -1.3282 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7688 -2.8495 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5416 0.5073 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7906 -0.8824 1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 -0.3608 1.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3092 -0.8638 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5871 0.3402 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 -1.4935 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6486 0.4976 1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 1.1158 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9874 0.6050 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8514 1.7758 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 0.9433 1.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 -1.1821 0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 1.4262 1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -0.6992 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 2.4116 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 2.8322 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 -1.2980 -1.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5988 1.1736 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0590 -0.4699 -2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3414 0.7539 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2556 -0.4103 -1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1679 0.6911 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9468 -2.0499 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2823 -2.1114 -1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2656 -1.1738 1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6340 -1.2450 0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5516 -3.8851 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4657 -2.7143 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 -0.4106 2.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 -1.9623 2.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8211 2.0892 -1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7138 1.5914 2.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -2.2000 0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4311 2.4403 1.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 -1.3576 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7324 3.1806 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8114 -2.2383 -2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8157 2.1144 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6524 -0.7714 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1484 1.3784 -1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 27 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 2 0 0 0 0 16 18 1 0 0 0 0 16 29 2 0 0 0 0 19 20 1 0 0 0 0 19 26 2 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 27 1 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 28 30 1 0 0 0 0 28 48 1 0 0 0 0 29 31 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M END $$$$