D06ETI -OEChem-10191522552D 120126 0 1 0 0 0 0 0999 V2000 21.9186 -2.8170 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.6830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 5.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 5.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 2.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -6.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2224 -6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7224 -5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 -4.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1119 -4.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -6.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -6.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6665 -6.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0651 -5.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 -3.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 -2.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6855 -6.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9124 -7.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7594 -6.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7224 -5.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1024 -5.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7224 -6.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -3.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -3.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 -1.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 -1.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 -2.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -3.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7836 -3.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -4.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 -1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 4.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 4.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 4.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 5.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 5.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 3.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 18 1 0 0 0 0 2 55 1 0 0 0 0 3 12 2 0 0 0 0 3 13 2 0 0 0 0 3 54 1 0 0 0 0 3 60 1 0 0 0 0 4 51 1 0 0 0 0 4 59 1 0 0 0 0 5 60 1 0 0 0 0 6 60 1 0 0 0 0 7 60 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 52 2 0 0 0 0 14 25 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 35 1 0 0 0 0 16 44 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 46 17 1 1 0 0 0 17 53 1 0 0 0 0 17111 1 0 0 0 0 18 52 1 0 0 0 0 18112 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 66 1 0 0 0 0 20 67 1 0 0 0 0 21 23 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 70 1 0 0 0 0 23 71 1 0 0 0 0 24 30 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 32 1 0 0 0 0 28 82 1 0 0 0 0 28 83 1 0 0 0 0 29 31 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 86 1 0 0 0 0 31 87 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 0 0 0 0 33 36 1 0 0 0 0 33 88 1 0 0 0 0 34 37 2 0 0 0 0 34 89 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 2 0 0 0 0 36 90 1 0 0 0 0 37 40 1 0 0 0 0 37 91 1 0 0 0 0 38 41 1 0 0 0 0 38 92 1 0 0 0 0 39 42 2 0 0 0 0 39 93 1 0 0 0 0 41 43 2 0 0 0 0 41 94 1 0 0 0 0 42 43 1 0 0 0 0 42 95 1 0 0 0 0 43 52 1 0 0 0 0 44 45 1 0 0 0 0 44 96 1 0 0 0 0 44 97 1 0 0 0 0 45 46 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 46 51 1 0 0 0 0 46100 1 0 0 0 0 47 50 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 48 49 1 0 0 0 0 48101 1 0 0 0 0 48102 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 51109 1 0 0 0 0 51110 1 0 0 0 0 53 54 2 0 0 0 0 53 56 1 0 0 0 0 54 57 1 0 0 0 0 55 57 2 0 0 0 0 55 58 1 0 0 0 0 56 58 2 0 0 0 0 56113 1 0 0 0 0 57114 1 0 0 0 0 58115 1 0 0 0 0 59 61 2 0 0 0 0 59 62 1 0 0 0 0 61 63 1 0 0 0 0 61116 1 0 0 0 0 62 64 2 0 0 0 0 62117 1 0 0 0 0 63 65 2 0 0 0 0 63118 1 0 0 0 0 64 65 1 0 0 0 0 64119 1 0 0 0 0 65120 1 0 0 0 0 M END $$$$