B0HRW5 -OEChem-04022100562D 113116 0 1 0 0 0 0 0999 V2000 4.4487 1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5911 2.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -3.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3738 7.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 5.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -3.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -9.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.4587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.5413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 4.1005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -3.0413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.4481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -5.0413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.1611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -4.5413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2853 2.4532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2634 2.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7634 1.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.0413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5421 3.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.0413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9128 -1.5413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1808 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0069 4.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2148 5.7478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7788 -2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4717 6.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -4.5413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9128 -3.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -5.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1659 6.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6796 7.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -5.0413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6448 -4.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -6.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -6.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 8.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6306 7.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -6.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -6.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -6.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -6.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 9.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8386 8.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0954 9.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -7.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -7.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -8.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 2.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8298 2.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 3.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1783 1.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2650 2.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 0.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5959 0.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -1.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -1.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -2.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -0.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 4.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 5.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 4.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7008 0.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3022 -0.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 5.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -3.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 -2.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 -2.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 -1.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 6.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1431 5.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -5.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 -0.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 0.2687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 0.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -1.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 1.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 -4.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4362 -5.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -5.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -4.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0478 -5.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 7.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0914 7.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0669 -7.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 -6.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 -6.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3348 -6.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1079 -6.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9548 -7.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 7.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -6.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -6.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 -4.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -3.9213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6836 9.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4282 8.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2243 9.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -7.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -7.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -9.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 23 2 0 0 0 0 3 27 2 0 0 0 0 4 35 2 0 0 0 0 5 39 1 0 0 0 0 5103 1 0 0 0 0 6 39 2 0 0 0 0 7 43 2 0 0 0 0 8 57 1 0 0 0 0 8113 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 22 10 1 1 0 0 0 10 27 1 0 0 0 0 10 69 1 0 0 0 0 11 23 1 0 0 0 0 11 28 1 0 0 0 0 11 71 1 0 0 0 0 25 12 1 6 0 0 0 12 35 1 0 0 0 0 12 77 1 0 0 0 0 13 30 1 0 0 0 0 13 41 1 0 0 0 0 13 87 1 0 0 0 0 34 14 1 1 0 0 0 14 43 1 0 0 0 0 14 91 1 0 0 0 0 15 37 1 0 0 0 0 15 41 2 0 0 0 0 42 16 1 1 0 0 0 16106 1 0 0 0 0 16107 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 6 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 20 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 22 65 1 0 0 0 0 24 30 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 68 1 0 0 0 0 26 29 1 0 0 0 0 26 32 1 6 0 0 0 26 70 1 0 0 0 0 31 28 1 6 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 36 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 37 2 0 0 0 0 31 33 1 0 0 0 0 31 39 1 0 0 0 0 31 76 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 40 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 34 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 88 1 0 0 0 0 38 45 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 40 46 2 0 0 0 0 40 47 1 0 0 0 0 41 92 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 93 1 0 0 0 0 44 48 1 0 0 0 0 44 49 1 0 0 0 0 44 94 1 0 0 0 0 45 50 2 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 46 95 1 0 0 0 0 47 53 2 0 0 0 0 47 96 1 0 0 0 0 48 97 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 49100 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 50 55 1 0 0 0 0 50104 1 0 0 0 0 51 56 2 0 0 0 0 51105 1 0 0 0 0 52 54 2 0 0 0 0 52108 1 0 0 0 0 53 54 1 0 0 0 0 53109 1 0 0 0 0 54110 1 0 0 0 0 55 57 2 0 0 0 0 55111 1 0 0 0 0 56 57 1 0 0 0 0 56112 1 0 0 0 0 M END $$$$