B4UG6M -OEChem-04012114292D 42 45 0 0 0 0 0 0 0999 V2000 4.5981 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.3429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.2021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.7054 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 10.7321 -0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 -0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -1.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8579 1.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1963 -0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5899 1.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6024 -1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 1.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0022 -0.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 11 2 0 0 0 0 3 14 1 0 0 0 0 4 13 1 0 0 0 0 4 14 2 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 5 33 1 0 0 0 0 6 17 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 12 15 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$