MMs01249892 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 0.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 -1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5095 -2.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7547 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0094 -2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 -2.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7641 -3.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -3.8670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1502 -5.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6919 -6.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5751 -4.6086 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5751 -5.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5697 -3.1086 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1414 -2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6727 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7918 -5.4859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1599 -4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3113 -3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6794 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8961 -3.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7447 -5.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3767 -5.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2253 -7.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4420 -8.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 1.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5962 1.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9547 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 -3.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 -4.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9768 -5.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6708 -6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3379 -2.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8005 -1.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9906 -3.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7181 -5.8348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8572 -7.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7361 -9.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 43 44 1 0 0 0 0 M END