B6EWJ9 -OEChem-04022109542D 45 46 0 0 0 0 0 0 0999 V2000 5.2111 1.7536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 2.5626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -3.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2144 1.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 -0.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2111 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8451 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8451 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0246 3.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 3.4114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 -0.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1141 -0.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 4.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0779 4.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 3.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0894 2.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 3.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 4.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6192 -2.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8461 -1.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9992 -1.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -1.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5761 -1.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -2.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2672 -4.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1141 -4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8872 -3.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8040 0.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 17 1 0 0 0 0 3 24 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 19 1 0 0 0 0 5 26 1 0 0 0 0 6 22 1 0 0 0 0 6 45 1 0 0 0 0 7 22 2 0 0 0 0 8 23 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 22 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$