LJ0E1F -OEChem-05022321283D 42 45 0 1 0 0 0 0 0999 V2000 -1.7809 2.9140 -1.2094 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2006 0.3512 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 2.4583 -0.0078 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 0.6744 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 -1.7822 0.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3223 -0.0003 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.7793 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.7637 1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 -0.7699 -1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6923 -1.9148 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 -1.9206 -1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5566 -1.9573 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5368 0.2984 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 1.6932 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0289 1.5809 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3622 -0.7719 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5049 2.1762 -0.0079 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5451 -0.8617 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7141 -0.5447 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 1.7412 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 -2.1471 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 3.0817 1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 -2.7560 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -1.7096 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 -0.8802 2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2221 0.1636 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2202 0.1586 -1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -0.8909 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 -2.8607 1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 -1.8452 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3224 -1.8547 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 -2.8670 -1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1159 -2.9019 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 1.4057 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 2.7196 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.7382 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 3.9902 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 2.5656 2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8813 3.4064 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2954 -1.9620 0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 -3.8001 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7067 3.2093 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 42 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 3 15 1 0 0 0 0 4 19 2 0 0 0 0 4 20 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 5 40 1 0 0 0 0 6 18 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 18 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$