BU9P1E -OEChem-04012119322D 79 82 0 1 0 0 0 0 0999 V2000 6.0010 0.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 1.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 0.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9292 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4050 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.9292 0.9050 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3312 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4058 1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 55 1 0 0 0 0 10 33 1 0 0 0 0 10 76 1 0 0 0 0 10 77 1 0 0 0 0 11 38 1 0 0 0 0 11 78 1 0 0 0 0 11 79 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 20 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 22 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 23 58 1 0 0 0 0 24 32 2 0 0 0 0 24 59 1 0 0 0 0 25 36 1 0 0 0 0 25 60 1 0 0 0 0 26 37 2 0 0 0 0 26 61 1 0 0 0 0 27 34 1 0 0 0 0 27 62 1 0 0 0 0 28 35 2 0 0 0 0 28 63 1 0 0 0 0 29 39 1 0 0 0 0 29 64 1 0 0 0 0 30 40 2 0 0 0 0 30 65 1 0 0 0 0 31 33 2 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 34 38 2 0 0 0 0 34 68 1 0 0 0 0 35 38 1 0 0 0 0 35 69 1 0 0 0 0 36 41 2 0 0 0 0 36 70 1 0 0 0 0 37 41 1 0 0 0 0 37 71 1 0 0 0 0 39 42 2 0 0 0 0 39 72 1 0 0 0 0 40 42 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 M END $$$$