BBJM89 -OEChem-04012113322D 53 53 0 0 0 0 0 0 0999 V2000 16.0802 -1.2972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 1.5024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5802 0.2416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2376 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1886 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5434 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9318 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8002 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8828 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6260 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5770 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3202 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 1.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2712 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5802 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8892 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7490 -0.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5286 -0.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 1.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2033 1.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6772 0.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8975 0.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0548 0.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8344 -0.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4432 -0.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2228 -0.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 1.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5091 1.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 0.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 0.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3606 0.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1402 0.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1374 -1.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9170 -1.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5946 1.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8149 1.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0656 0.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2859 0.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 0.7605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 0.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8316 -1.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6112 -1.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 2.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 2.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0802 -1.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2158 0.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 0.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4789 -0.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 1 49 1 0 0 0 0 2 17 1 0 0 0 0 2 51 1 0 0 0 0 2 52 1 0 0 0 0 3 19 1 0 0 0 0 3 20 2 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 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 19 50 1 0 0 0 0 20 53 1 0 0 0 0 M END $$$$