BD6XI1 -OEChem-04022107352D 40 42 0 0 0 0 0 0 0999 V2000 3.8660 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 1.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 -0.3429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 1.2021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 0.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 -0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1282 1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1359 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9961 0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8679 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 0.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -0.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -1.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6188 -1.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3938 1.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7322 -0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1258 1.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1383 -1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5319 1.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5600 -1.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4061 -1.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1759 -0.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 11 2 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 14 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$