MMs01248724 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 0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2534 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 -2.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7534 -1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7602 -3.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2602 -3.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1451 -5.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6853 -6.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5704 -4.6193 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5704 -5.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5665 -3.1193 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1387 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6714 -1.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7863 -5.4978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1550 -4.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3708 -5.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7395 -5.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8924 -3.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6766 -2.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3079 -3.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2611 -3.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4770 -3.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8973 1.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5972 1.0566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9096 -3.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6337 -4.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 -5.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6640 -6.6916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2485 -6.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7122 -5.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7989 -1.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3352 -2.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4140 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5090 -1.0598 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 27 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 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