EXO0453 -OEChem-04222010172D 145152 0 1 0 0 0 0 0999 V2000 21.8779 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8456 0.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0774 4.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3390 0.9826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2011 0.4760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1150 0.9758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4691 0.4893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1311 2.0173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3309 2.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4614 -0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2330 2.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0707 2.5598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5634 -1.0384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1934 -0.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0375 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5793 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.5176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7021 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6693 0.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0061 2.0101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9894 0.9252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3236 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0996 -0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1343 1.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5801 -2.1233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7134 -1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6447 -2.6730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5740 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5740 3.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7050 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4518 -2.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6485 -3.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.0176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 0.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 1.4824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -0.0176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 0.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.0176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -3.0176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.5176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -2.0176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -3.0176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.5176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -3.0176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.5176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.0176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9306 0.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1343 2.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1174 2.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7209 1.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6340 3.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8357 3.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3044 -1.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4010 -1.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8048 -0.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6257 -0.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4237 -0.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9875 1.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1894 1.5129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1801 2.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3073 2.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2241 1.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4648 1.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0577 0.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5388 1.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9762 0.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3188 -1.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4797 -0.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0900 -0.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7195 -0.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7186 1.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9268 2.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5501 1.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1128 -1.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5089 -0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1018 -1.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1083 -2.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0474 3.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0505 3.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1122 3.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2661 3.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0359 3.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0950 -2.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4915 -2.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1481 -3.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9923 -2.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7556 -2.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4112 2.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8337 -0.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0285 -3.6754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6509 -4.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2685 -3.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3894 4.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 0.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 0.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 -0.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -2.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -0.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -0.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36 1 1 1 0 0 0 1109 1 0 0 0 0 37 2 1 6 0 0 0 2110 1 0 0 0 0 3 44 1 0 0 0 0 3114 1 0 0 0 0 4 47 1 0 0 0 0 50 4 1 6 0 0 0 5 47 2 0 0 0 0 6 50 1 0 0 0 0 6 53 1 0 0 0 0 51 7 1 1 0 0 0 7120 1 0 0 0 0 52 8 1 6 0 0 0 8123 1 0 0 0 0 54 9 1 1 0 0 0 9124 1 0 0 0 0 10 55 1 0 0 0 0 56 10 1 1 0 0 0 11 56 1 0 0 0 0 11 59 1 0 0 0 0 57 12 1 6 0 0 0 12130 1 0 0 0 0 60 13 1 6 0 0 0 62 13 1 1 0 0 0 58 14 1 1 0 0 0 14133 1 0 0 0 0 15 61 1 0 0 0 0 15136 1 0 0 0 0 16 62 1 0 0 0 0 16 65 1 0 0 0 0 63 17 1 6 0 0 0 17143 1 0 0 0 0 64 18 1 6 0 0 0 18144 1 0 0 0 0 66 19 1 1 0 0 0 19145 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 20 34 1 1 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 21 68 1 6 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 22 39 1 1 0 0 0 23 26 1 0 0 0 0 23 32 1 0 0 0 0 23 40 1 6 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 69 1 6 0 0 0 25 27 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 29 1 0 0 0 0 26 38 2 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 36 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 1 0 0 0 29 33 1 0 0 0 0 29 41 1 0 0 0 0 29 74 1 1 0 0 0 30 38 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 37 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 35 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 35 1 0 0 0 0 33 42 1 0 0 0 0 33 47 1 1 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 37 1 0 0 0 0 36 86 1 0 0 0 0 37 87 1 0 0 0 0 38 88 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 41 43 1 0 0 0 0 41 48 1 1 0 0 0 41 95 1 0 0 0 0 42 46 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 43 46 1 0 0 0 0 43 49 1 6 0 0 0 43 98 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 45103 1 0 0 0 0 46104 1 0 0 0 0 46105 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 49113 1 0 0 0 0 50 51 1 0 0 0 0 50115 1 0 0 0 0 51 52 1 0 0 0 0 51116 1 0 0 0 0 52 54 1 0 0 0 0 52117 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 6 0 0 0 53118 1 0 0 0 0 54119 1 0 0 0 0 55121 1 0 0 0 0 55122 1 0 0 0 0 56 57 1 0 0 0 0 56125 1 0 0 0 0 57 58 1 0 0 0 0 57126 1 0 0 0 0 58 60 1 0 0 0 0 58127 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 1 0 0 0 59128 1 0 0 0 0 60129 1 0 0 0 0 61131 1 0 0 0 0 61132 1 0 0 0 0 62 63 1 0 0 0 0 62134 1 0 0 0 0 63 64 1 0 0 0 0 63135 1 0 0 0 0 64 66 1 0 0 0 0 64137 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 6 0 0 0 65138 1 0 0 0 0 66139 1 0 0 0 0 67140 1 0 0 0 0 67141 1 0 0 0 0 67142 1 0 0 0 0 M END $$$$