L9KX8S -OEChem-05032301153D 81 87 0 1 0 0 0 0 0999 V2000 -0.5929 -1.1012 1.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 2.5781 -0.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 2.0043 -1.6766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6329 -4.7301 1.7846 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3719 -4.7277 0.7317 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 -0.4548 -1.1515 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5885 -4.9401 2.5982 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6194 -4.9466 2.0174 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8826 0.3924 -0.4728 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0158 1.7363 -0.1769 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3153 0.5742 -0.3513 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6562 -0.9221 1.3434 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 -4.3405 -0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 -5.5374 -1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0157 -4.8000 -1.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 -3.0727 -0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9815 -4.6029 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 -1.8406 -1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 -3.1490 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -1.7614 -1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7413 -0.6997 -1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6055 -1.9961 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0736 -0.7589 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5701 -0.2097 0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2734 0.4771 -2.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 1.2136 0.6045 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3101 2.1006 0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5598 1.6793 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0479 4.3528 0.9693 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7275 3.5930 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4787 3.3118 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9314 3.9655 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 1.6816 1.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 4.0410 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5377 2.4106 1.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3195 1.3151 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8377 4.2310 2.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 5.3334 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3261 1.8680 -0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6299 0.3387 0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6591 1.4493 -0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9694 0.4606 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9484 -0.0890 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6905 1.9843 -1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3051 0.0697 0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9810 1.5182 -1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 -6.5296 -1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -5.4439 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -4.2302 -2.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0575 -5.3030 -1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2609 -4.0978 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 -1.9605 -2.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -2.5054 -0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2988 0.2509 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6323 -2.0770 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7053 -5.0852 3.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7506 0.2685 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 1.5073 -1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 0.2459 -3.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 0.3687 -2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 1.1547 1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8279 2.3725 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8265 5.4237 0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3132 3.6940 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 4.5540 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4482 4.1891 -1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2567 0.7572 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3198 2.0100 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 3.2186 2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 4.5015 3.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7004 4.9066 2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 6.1758 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5493 5.3427 -1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8093 5.5107 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 2.6307 -1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -0.1215 1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 -0.8441 1.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4993 2.7470 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8073 1.9084 -1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0136 -1.6884 1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6435 -1.1446 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 28 1 0 0 0 0 2 32 1 0 0 0 0 3 28 2 0 0 0 0 4 7 1 0 0 0 0 4 17 2 0 0 0 0 5 8 2 0 0 0 0 5 17 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 56 1 0 0 0 0 9 23 1 0 0 0 0 9 28 1 0 0 0 0 9 57 1 0 0 0 0 10 26 1 0 0 0 0 10 36 1 0 0 0 0 10 62 1 0 0 0 0 11 45 2 0 0 0 0 11 46 1 0 0 0 0 12 45 1 0 0 0 0 12 80 1 0 0 0 0 12 81 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 2 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 24 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 31 2 0 0 0 0 27 33 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 37 1 0 0 0 0 29 63 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 34 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 35 2 0 0 0 0 33 67 1 0 0 0 0 34 38 1 0 0 0 0 35 68 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 41 1 0 0 0 0 39 75 1 0 0 0 0 40 43 2 0 0 0 0 40 76 1 0 0 0 0 41 42 2 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 45 1 0 0 0 0 43 77 1 0 0 0 0 44 46 2 0 0 0 0 44 78 1 0 0 0 0 46 79 1 0 0 0 0 M END $$$$