EXO1413 -OEChem-04222010142D 135137 0 1 0 0 0 0 0999 V2000 21.4481 -0.1197 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 0.2819 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 -0.9579 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 -0.7798 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 -2.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 -0.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 -2.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 1.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 0.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 -0.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -0.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 -1.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -0.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8494 -2.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 0.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 -1.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4538 0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8996 0.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4638 -1.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.9802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.5897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.7850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4695 -1.2403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9152 -0.8842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -1.4117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 -2.2197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 -1.7223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -3.0297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 -1.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8337 -1.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7466 -1.4184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2421 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4254 -1.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5566 -0.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2795 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4769 3.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6669 3.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6167 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8067 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3741 4.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7697 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5296 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1923 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8939 0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1842 5.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9597 1.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3396 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0838 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0813 6.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0625 0.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2524 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1710 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0024 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8914 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3610 -0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7252 -0.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6381 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 -0.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -2.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -3.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 -0.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 -0.7045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 -1.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 1.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 0.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2685 -0.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 -0.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2444 -1.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8080 -0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4952 0.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6761 0.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8595 -1.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1723 -2.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -2.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 -2.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -7.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -7.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4154 -2.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5332 -1.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 0.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6271 -0.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8342 -0.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.7478 3.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.0732 4.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.3961 3.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0706 3.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9643 0.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1715 0.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4591 -0.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2519 -0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1033 5.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7778 4.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0405 1.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.3660 2.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1820 -0.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9748 -0.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2414 0.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4486 0.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8447 -1.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6376 -1.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4550 4.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7804 5.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.6888 2.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3634 1.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6872 1.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8944 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7362 -0.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5291 -0.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8105 7.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.4851 6.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6284 0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3162 -0.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5186 0.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7257 0.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2549 6.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.3936 7.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.5278 7.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9789 -1.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0728 0.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2800 0.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2905 -1.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0833 -1.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 65 1 0 0 0 0 1 67 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 15 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 4 18 2 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 29 6 1 6 0 0 0 30 7 1 6 0 0 0 7 74 1 0 0 0 0 8 33 1 0 0 0 0 9 76 1 0 0 0 0 10 77 1 0 0 0 0 13 88 1 0 0 0 0 14 40 1 0 0 0 0 41 16 1 6 0 0 0 16 91 1 0 0 0 0 17 93 1 0 0 0 0 19 44 2 0 0 0 0 20 63 2 0 0 0 0 21 65 2 0 0 0 0 32 22 1 1 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 24 34 2 0 0 0 0 24 39 1 0 0 0 0 25 37 1 0 0 0 0 25 39 2 0 0 0 0 26 37 1 0 0 0 0 26 89 1 0 0 0 0 26 90 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 92 1 0 0 0 0 28 63 1 0 0 0 0 28 66 1 0 0 0 0 28131 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 68 1 0 0 0 0 30 32 1 0 0 0 0 30 69 1 0 0 0 0 31 33 1 1 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 36 1 0 0 0 0 35 75 1 0 0 0 0 36 37 2 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 39 81 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 41 44 1 0 0 0 0 41 80 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 43 87 1 0 0 0 0 45 53 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 46 47 1 0 0 0 0 46 50 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 47 51 1 0 0 0 0 47 98 1 0 0 0 0 47 99 1 0 0 0 0 48 49 1 0 0 0 0 48 52 1 0 0 0 0 48100 1 0 0 0 0 48101 1 0 0 0 0 49 54 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 50 55 1 0 0 0 0 50104 1 0 0 0 0 50105 1 0 0 0 0 51 56 1 0 0 0 0 51106 1 0 0 0 0 51107 1 0 0 0 0 52 57 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 53 63 1 0 0 0 0 53112 1 0 0 0 0 53113 1 0 0 0 0 54 58 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 55 59 1 0 0 0 0 55114 1 0 0 0 0 55115 1 0 0 0 0 56 60 1 0 0 0 0 56116 1 0 0 0 0 56117 1 0 0 0 0 57 61 1 0 0 0 0 57118 1 0 0 0 0 57119 1 0 0 0 0 58 62 1 0 0 0 0 58120 1 0 0 0 0 58121 1 0 0 0 0 59 64 1 0 0 0 0 59122 1 0 0 0 0 59123 1 0 0 0 0 60 61 2 0 0 0 0 60124 1 0 0 0 0 61125 1 0 0 0 0 62 65 1 0 0 0 0 62126 1 0 0 0 0 62127 1 0 0 0 0 64128 1 0 0 0 0 64129 1 0 0 0 0 64130 1 0 0 0 0 66 67 1 0 0 0 0 66132 1 0 0 0 0 66133 1 0 0 0 0 67134 1 0 0 0 0 67135 1 0 0 0 0 M END $$$$