MMs02465368 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 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 0.7566 -1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5132 -2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 -3.8702 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -5.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9747 -4.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 -6.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 -6.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 -8.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3996 -9.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -3.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8679 -3.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1631 -3.1003 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1631 -4.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3123 -1.6077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6228 -0.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7779 -1.2884 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9370 -0.9778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5345 -2.5836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8451 -3.7427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5365 -3.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0271 -2.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 -1.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3985 -2.2160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2493 -3.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7837 -4.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3275 -5.4568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1550 -5.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3368 -6.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8025 -6.2470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2587 -4.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7243 -4.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3809 0.0851 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1924 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4359 0.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 0.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 -0.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 -1.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -2.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0422 -0.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3821 -0.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8877 -2.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 -3.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -5.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3985 -7.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -5.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 -7.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 -8.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -9.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 -8.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -9.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -10.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 -4.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6439 -4.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7695 -0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9719 -7.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 35 -1 M END