BE4QD5 -OEChem-04012116332D 40 42 0 0 0 0 0 0 0999 V2000 7.1961 0.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1221 -0.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 1.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5385 0.4830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5385 -1.1264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 -1.3217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1221 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -1.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8491 1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 1.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7311 -1.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8644 1.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 1.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 -1.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 -0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 -0.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 -1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4385 1.2409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0418 2.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2598 1.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -0.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 1.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 0.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 15 19 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$