MMs02293679 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7405 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7593 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 -1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0107 -1.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2592 -1.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5186 -2.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7591 -1.2285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5185 -2.5221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1185 -1.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7779 -3.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5373 -5.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7967 -6.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5561 -7.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2968 -6.4353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6893 -5.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7043 -7.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0185 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7779 -3.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 2.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 2.3697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3668 -2.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -2.3263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0923 1.0978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3516 -0.1849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8531 -3.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8643 -4.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4510 -4.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4621 -5.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7591 -1.2068 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 M CHG 1 39 -1 M END