D0W9JM -OEChem-04152109032D 87 90 0 1 0 0 0 0 0999 V2000 5.8301 5.3541 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8152 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2981 3.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 4.7631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -6.2056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 4.4030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.3152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.3152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8301 5.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 4.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 5.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4175 6.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6036 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6473 5.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 2.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -4.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -6.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -5.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2361 3.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4366 5.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7653 5.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9547 4.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 3.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4230 4.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 6.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 7.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8111 6.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7325 5.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2100 6.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4747 6.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5184 6.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0408 5.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7762 4.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -3.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -4.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 -4.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -6.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 -7.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -4.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 31 1 0 0 0 0 2 37 1 0 0 0 0 16 3 1 6 0 0 0 3 67 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 27 2 0 0 0 0 7 36 1 0 0 0 0 7 38 1 0 0 0 0 8 35 2 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 56 1 0 0 0 0 15 11 1 1 0 0 0 11 27 1 0 0 0 0 11 57 1 0 0 0 0 28 12 1 6 0 0 0 12 35 1 0 0 0 0 12 73 1 0 0 0 0 13 45 2 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 1 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 48 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 28 31 1 0 0 0 0 28 68 1 0 0 0 0 29 32 1 0 0 0 0 29 69 1 0 0 0 0 30 33 2 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 34 2 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 35 36 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 38 39 1 0 0 0 0 38 41 2 0 0 0 0 39 40 2 0 0 0 0 39 43 1 0 0 0 0 40 42 1 0 0 0 0 40 45 1 0 0 0 0 41 44 1 0 0 0 0 41 82 1 0 0 0 0 42 44 2 0 0 0 0 42 83 1 0 0 0 0 43 46 2 0 0 0 0 43 84 1 0 0 0 0 44 85 1 0 0 0 0 45 86 1 0 0 0 0 46 87 1 0 0 0 0 M END $$$$