B6ILX8 -OEChem-04012112282D 83 85 0 1 0 0 0 0 0999 V2000 5.2626 -4.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9568 -4.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8794 -2.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8794 -4.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 -1.2892 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0267 1.3469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -2.1552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4215 -2.8984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3351 -2.4917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2306 -1.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 -2.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8457 -0.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2011 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2136 -3.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3611 -2.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9791 -0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0671 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2011 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9332 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0671 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9332 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 2.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4630 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7956 3.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6309 2.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3888 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2242 3.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4147 -1.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9034 -3.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3026 -3.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8506 -1.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2954 -0.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 -2.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9288 -2.8558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 0.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3317 -0.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 -1.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 -2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7255 -2.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 -1.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4807 -0.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6147 -0.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 -0.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0671 -1.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6642 -4.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1337 -4.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0671 -5.1117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0452 1.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1285 2.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4306 1.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0754 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 0.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -0.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 -1.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -2.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 -1.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7771 3.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6938 2.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 2.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5822 2.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9239 -3.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9239 -3.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2262 3.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3096 4.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0294 2.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6742 1.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9552 5.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1366 5.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 4.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7906 3.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 3.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6578 3.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 56 1 0 0 0 0 2 16 2 0 0 0 0 3 20 2 0 0 0 0 4 24 1 0 0 0 0 4 33 1 0 0 0 0 5 26 1 0 0 0 0 5 33 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 20 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 6 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 1 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 23 2 0 0 0 0 19 53 1 0 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 22 25 2 0 0 0 0 22 55 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 27 31 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 32 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 34 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 35 1 0 0 0 0 32 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 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 37 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 M END $$$$