BAU74W -OEChem-04022100282D 68 71 0 0 0 0 0 0 0999 V2000 10.5969 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8173 -1.6567 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.7930 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0610 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 0.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9270 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9270 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.6272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6482 -0.0476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 -1.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0610 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7930 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0610 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7930 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9270 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9270 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0610 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7930 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1950 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0610 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3289 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1950 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3289 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4629 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7309 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6263 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1482 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -1.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3695 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4504 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8489 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0051 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4036 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8489 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4504 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4036 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0051 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1030 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3300 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4830 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1950 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5979 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1950 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8614 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0644 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 -1.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 0.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -1.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 1.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9015 -1.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7843 -0.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8302 0.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9546 0.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 0.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -0.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 -1.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -2.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 -1.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 2 28 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 34 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 27 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 26 1 0 0 0 0 9 28 2 0 0 0 0 10 28 1 0 0 0 0 10 34 1 0 0 0 0 10 59 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 2 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 26 35 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 30 32 1 0 0 0 0 30 55 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 M END $$$$