B9RU2Y -OEChem-04042106143D 45 47 0 1 0 0 0 0 0999 V2000 2.5653 -1.2849 -3.2097 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5711 2.2855 1.0202 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 2.5720 2.6233 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1948 0.6813 2.4523 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5674 -2.7763 -0.0391 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7061 -4.3937 1.1217 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 2.3104 -1.0487 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8918 2.2532 0.2094 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 0.9505 -0.7932 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 1.0016 -1.7187 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8232 3.2718 -1.4875 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7095 -1.1627 0.2379 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3443 -0.8857 0.5753 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9874 0.3837 0.7993 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 -0.2262 -1.1540 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0822 0.1771 -0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 1.1343 0.8571 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9071 -1.1429 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5663 -0.9774 -2.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 1.6798 1.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 2.0988 -1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5744 -0.7377 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 -2.3780 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 -1.5673 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 -3.2076 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -2.8023 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 0.0316 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7422 0.1624 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 1.3014 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7808 1.3692 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6789 -0.7838 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4358 0.3109 0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8427 0.3511 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 0.6883 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -0.6853 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7719 0.6484 1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 -1.9019 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2755 -0.3437 -2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 0.2184 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 -3.4592 1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 3.3351 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 4.1122 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3426 -1.8244 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 2.2524 -0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1302 -1.6425 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 23 1 0 0 0 0 6 25 1 0 0 0 0 7 29 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 27 2 0 0 0 0 10 15 1 0 0 0 0 10 21 2 0 0 0 0 11 21 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 24 1 0 0 0 0 12 27 1 0 0 0 0 12 43 1 0 0 0 0 13 28 1 0 0 0 0 13 31 2 0 0 0 0 14 33 3 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 32 2 0 0 0 0 30 44 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 32 33 1 0 0 0 0 M END $$$$