MMs00180584 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 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 0.7591 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 2.6085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2409 1.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7408 1.3252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 2.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 3.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0438 2.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3376 2.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6418 2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6523 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3585 -0.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0543 0.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1774 -1.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9565 -0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9670 -1.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2503 0.6277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5546 -0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5650 -1.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8693 -2.3541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.8777 -3.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1630 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4673 -2.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1526 -0.0951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.1876 0.5122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8483 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8378 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5927 -1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 1.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6254 3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1072 -1.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3292 4.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6768 2.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3669 -1.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2419 1.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5300 -2.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 M END