LE5DN3 -OEChem-05022323532D 45 47 0 0 0 0 0 0 0999 V2000 4.8535 1.0470 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 0.0764 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 1.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 -3.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2544 1.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4635 -0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4804 -1.9602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0641 -1.1555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 -0.1555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 -1.6555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.0281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4804 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 -1.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7911 0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7696 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 -0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 -2.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8316 0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7911 -2.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0803 1.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3668 2.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 3.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7705 1.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1773 0.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7902 0.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3834 0.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2652 -1.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8937 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2018 -3.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9837 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3804 -2.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6696 1.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2729 2.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4910 1.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0383 3.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 2.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5249 2.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5708 3.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 3.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 25 1 0 0 0 0 4 19 2 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 8 13 2 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 31 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 17 24 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 20 23 2 0 0 0 0 20 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 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 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$