LLE29D -OEChem-05032301282D 83 88 0 1 0 0 0 0 0999 V2000 8.0197 1.0305 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 2.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 0.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -3.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8303 -2.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 -0.4695 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7982 3.1465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -2.4695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6328 4.7474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 2.7660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0819 -5.4695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0819 -3.4695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 5.7501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8418 -5.5041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7479 -3.9487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6120 -5.4936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 0.5305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2876 1.0305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7517 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 0.5305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3741 0.6238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8857 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 1.3669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7517 -0.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 2.2330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1536 0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -0.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -1.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 3.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 4.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 4.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2158 -4.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2158 -3.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 4.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2158 -4.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7158 -5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 3.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9479 -4.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9479 -3.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8418 -3.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7479 -4.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3488 0.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8076 1.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1503 1.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3532 1.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1547 0.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 0.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2751 -0.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6736 -1.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3673 1.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3532 -1.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1503 -1.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 2.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7551 0.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5522 0.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0944 -1.0771 0.0000 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18.1501 -5.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 1 0 0 0 1 30 1 0 0 0 0 2 22 1 0 0 0 0 2 29 1 0 0 0 0 25 3 1 1 0 0 0 3 66 1 0 0 0 0 27 4 1 1 0 0 0 4 67 1 0 0 0 0 5 32 1 0 0 0 0 5 70 1 0 0 0 0 6 32 2 0 0 0 0 7 38 2 0 0 0 0 8 46 2 0 0 0 0 9 24 1 0 0 0 0 9 28 1 0 0 0 0 9 31 1 0 0 0 0 29 10 1 6 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 33 1 0 0 0 0 11 38 1 0 0 0 0 11 69 1 0 0 0 0 12 35 2 0 0 0 0 12 36 1 0 0 0 0 13 34 2 0 0 0 0 13 43 1 0 0 0 0 14 37 1 0 0 0 0 14 44 1 0 0 0 0 14 71 1 0 0 0 0 15 40 1 0 0 0 0 15 43 2 0 0 0 0 16 39 2 0 0 0 0 16 45 1 0 0 0 0 17 40 1 0 0 0 0 17 79 1 0 0 0 0 17 80 1 0 0 0 0 18 44 1 0 0 0 0 18 47 2 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 81 1 0 0 0 0 20 47 1 0 0 0 0 20 82 1 0 0 0 0 20 83 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 30 1 6 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 32 1 6 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 29 1 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