BE85IJ -OEChem-04022101412D 58 61 0 0 0 0 0 0 0999 V2000 6.6318 1.1998 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 3.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -3.8879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 2.9599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0138 1.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3228 2.1509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 -4.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 -3.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -3.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -1.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -1.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 0.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9051 2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3119 1.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3228 2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5039 3.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7131 0.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0916 4.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 4.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6849 5.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6740 5.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2727 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 6.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 -5.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -5.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -5.0143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1513 -3.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -3.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 -3.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -3.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2258 -2.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4199 -2.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2258 -0.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4199 -0.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5067 3.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8619 3.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7103 1.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3551 1.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2631 2.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1467 0.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9653 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2795 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3384 4.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0683 5.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2906 5.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0205 6.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6316 6.8021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 2 13 1 0 0 0 0 2 42 1 0 0 0 0 3 13 2 0 0 0 0 4 25 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 21 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 20 2 0 0 0 0 8 24 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 26 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 25 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 54 1 0 0 0 0 29 31 2 0 0 0 0 29 55 1 0 0 0 0 30 32 2 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$