BA8E5I -OEChem-04012116592D 76 78 0 1 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 53 1 0 0 0 0 2 14 2 0 0 0 0 3 26 1 0 0 0 0 3 32 1 0 0 0 0 4 26 2 0 0 0 0 5 30 1 0 0 0 0 5 34 1 0 0 0 0 6 30 2 0 0 0 0 9 7 1 6 0 0 0 7 14 1 0 0 0 0 7 47 1 0 0 0 0 13 8 1 1 0 0 0 8 26 1 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 10 12 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 17 1 0 0 0 0 11 44 1 0 0 0 0 12 16 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 15 18 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 51 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 54 1 0 0 0 0 20 25 2 0 0 0 0 20 55 1 0 0 0 0 21 30 1 0 0 0 0 21 56 1 0 0 0 0 22 28 1 0 0 0 0 22 57 1 0 0 0 0 23 29 2 0 0 0 0 23 58 1 0 0 0 0 24 27 2 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 27 61 1 0 0 0 0 28 31 2 0 0 0 0 28 62 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 34 67 1 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 39 2 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 38 40 2 0 0 0 0 38 74 1 0 0 0 0 39 40 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 M END $$$$