MMs03385654 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 40 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 1.1218 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4155 0.2366 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9054 0.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6004 -1.3746 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2004 -2.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 -2.6577 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0587 -3.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 -1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8995 -1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6403 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8810 1.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3810 1.2870 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.9737 2.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9883 0.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1219 2.5701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9219 2.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7145 3.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4179 -3.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 -3.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6985 0.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5217 -0.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2357 1.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 1.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 -1.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0848 -2.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 -1.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -0.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 -2.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 0.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8403 1.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1588 -2.6683 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9659 -3.0867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -3.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1402 -0.0279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7476 -1.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6771 -5.2557 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 15 1 M CHG 1 35 1 M CHG 1 40 -1 M END