LEX4P7 -OEChem-05032300483D 80 83 0 1 0 0 0 0 0999 V2000 -4.0340 -2.1785 0.7163 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 3.1944 -0.9156 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6524 2.9399 1.1177 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6021 4.9058 0.1893 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6726 -2.1208 -0.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 -0.9610 1.4424 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 1.2049 3.5525 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9102 -1.5116 2.4229 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 -3.1782 0.6294 N 0 0 1 0 0 0 0 0 0 0 0 0 2.4691 0.1490 0.9046 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 2.6260 1.1861 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -1.4666 -3.1875 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 -4.6264 1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0277 -3.2031 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7781 -5.3030 1.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -4.5741 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 -2.5078 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 0.7158 1.6715 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0460 1.8027 2.6426 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6444 1.2741 0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4598 -2.0579 0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -2.3113 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -1.4115 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3626 3.0065 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 -1.6647 -1.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -0.9315 1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 -1.2147 -0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4973 0.1924 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 3.7917 0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6593 -0.2347 0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1228 -0.3797 -1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0314 -0.8128 -3.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6031 3.4203 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4466 -1.2335 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9101 -1.3786 -1.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 -1.8054 -1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8898 3.6654 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8773 -0.7764 -5.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 2.8315 -1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9993 3.3214 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 2.4875 -2.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 2.7323 -1.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3752 3.5824 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6448 -4.6275 0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -5.2112 1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0149 -2.7353 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5714 -3.1836 2.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3042 -5.3588 2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9206 -6.3334 0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -4.5690 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8973 -5.1075 0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 -0.0936 2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8848 2.1737 3.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 1.9494 1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 1.8851 -0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5663 -2.2115 2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -2.6575 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0913 3.5360 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 3.6964 2.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1915 0.6444 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 -0.7409 -1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 2.1614 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5824 0.4848 4.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 -1.8043 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3206 4.2971 -0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2987 4.5254 1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9603 0.2013 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2216 -0.0546 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 0.2171 -3.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9604 -1.3448 -3.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3508 -1.5665 0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6185 -1.8238 -2.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6850 -2.5833 -1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0328 4.1221 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 -1.7883 -5.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7363 -0.2785 -5.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 -0.2328 -5.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5716 2.6335 -1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 2.0265 -3.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6734 2.4559 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 43 1 0 0 0 0 3 43 1 0 0 0 0 4 43 1 0 0 0 0 7 19 1 0 0 0 0 7 63 1 0 0 0 0 8 26 2 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 26 1 0 0 0 0 10 60 1 0 0 0 0 11 24 1 0 0 0 0 11 29 1 0 0 0 0 11 62 1 0 0 0 0 12 25 1 0 0 0 0 12 32 1 0 0 0 0 12 64 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 19 24 1 0 0 0 0 19 53 1 0 0 0 0 20 28 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 21 56 1 0 0 0 0 22 25 2 0 0 0 0 22 57 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 27 61 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 33 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 34 1 0 0 0 0 30 67 1 0 0 0 0 31 35 2 0 0 0 0 31 68 1 0 0 0 0 32 38 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 37 2 0 0 0 0 33 39 1 0 0 0 0 34 36 2 0 0 0 0 34 71 1 0 0 0 0 35 36 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 37 40 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 39 41 2 0 0 0 0 39 78 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 M END $$$$