LB5XN2 -OEChem-05022322512D 45 48 0 0 0 0 0 0 0999 V2000 4.7438 0.9194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 -1.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 -0.0751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9907 -0.3798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.1454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 2.8499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9348 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 -0.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0445 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0445 0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 -1.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 -0.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 -0.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9907 1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 -2.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 -1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2621 -3.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5679 -2.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3111 -3.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3159 -1.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1129 -1.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 0.1965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 0.5449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 -1.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 2.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 1.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1833 -0.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1833 1.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1943 0.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -1.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 -1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7229 -3.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 -2.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 -4.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 2.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 3.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 3 17 1 0 0 0 0 3 31 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 4 35 1 0 0 0 0 5 24 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 24 2 0 0 0 0 6 45 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 12 22 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 32 1 0 0 0 0 16 24 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 23 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$