448438 -OEChem-11021016102D 100103 0 1 0 0 0 0 0999 V2000 5.4646 -4.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0976 5.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5981 4.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5981 4.5241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -5.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0981 5.3901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -3.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0981 5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5981 4.5241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -5.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5981 6.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5982 2.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9244 2.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5981 2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5981 2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0981 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5981 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5981 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5981 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6807 5.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9904 6.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -6.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -6.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9904 3.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6807 3.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9081 5.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1350 5.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9081 6.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0611 6.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -6.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -6.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -2.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2057 3.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3138 2.7809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8168 2.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5350 2.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0613 2.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9082 2.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1351 3.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9081 5.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 -3.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7881 4.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5611 1.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 -1.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 -1.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 -1.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4081 1.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6350 2.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2881 3.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 -2.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4081 1.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7881 -1.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 -2.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7881 2.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 0.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 0.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5611 -0.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5611 -0.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4081 -0.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6350 0.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9081 -1.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2881 1.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7881 0.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4081 -0.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 16 3 1 1 0 0 0 3 76 1 0 0 0 0 15 4 1 1 0 0 0 4 75 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 1 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 19 1 1 0 0 0 7 11 1 0 0 0 0 7 18 1 1 0 0 0 8 12 1 0 0 0 0 8 17 1 1 0 0 0 9 14 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 16 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 15 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 25 2 0 0 0 0 19 62 1 0 0 0 0 20 26 2 0 0 0 0 20 61 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 22 71 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 24 70 1 0 0 0 0 25 28 1 0 0 0 0 25 78 1 0 0 0 0 26 27 1 0 0 0 0 26 77 1 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 28 29 1 0 0 0 0 28 32 2 0 0 0 0 29 79 1 0 0 0 0 29 83 1 0 0 0 0 29 84 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 31 34 1 0 0 0 0 31 86 1 0 0 0 0 32 33 1 0 0 0 0 32 85 1 0 0 0 0 33 35 2 0 0 0 0 33 87 1 0 0 0 0 34 36 2 0 0 0 0 34 88 1 0 0 0 0 35 38 1 0 0 0 0 35 90 1 0 0 0 0 36 37 1 0 0 0 0 36 89 1 0 0 0 0 37 40 1 0 0 0 0 37 42 2 0 0 0 0 38 39 1 0 0 0 0 38 41 2 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 39 96 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 41 44 1 0 0 0 0 41 98 1 0 0 0 0 42 43 1 0 0 0 0 42 97 1 0 0 0 0 43 44 2 0 0 0 0 43 99 1 0 0 0 0 44100 1 0 0 0 0 M END