B3D0NL -OEChem-04012112123D 40 43 0 1 0 0 0 0 0999 V2000 -4.1894 1.2395 0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 0.8729 -0.8558 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.8461 0.9472 0.1137 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6469 0.6443 -0.9421 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3827 -0.8973 -0.6561 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7843 1.6454 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 -1.1894 -0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6414 1.2136 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9696 -0.1347 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 -1.3664 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 0.6012 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 -0.6771 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 -0.2980 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 1.8707 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.4460 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 2.1874 -1.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 -1.5428 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8357 -1.1297 2.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 -2.6139 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5335 1.0730 1.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3434 0.8005 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7852 -1.4656 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8502 2.6544 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1516 1.6934 0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7934 -2.2990 1.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4284 1.4313 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7326 0.5276 0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0366 2.9052 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 -3.3049 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 2.2450 -1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1659 3.0017 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 2.3643 -2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0088 -1.6842 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8943 -1.3170 2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -2.0523 2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 -0.3607 3.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 -3.6016 -0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3747 0.0379 1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5948 1.3110 1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9556 1.7588 2.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 20 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$