MMs03684481 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 60 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 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 -1.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7572 -1.2781 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1572 -2.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5144 -2.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 -3.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0144 -2.5646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7716 -3.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2716 -3.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0143 -2.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2571 -1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 -1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5143 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2715 -3.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2571 -1.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7570 -1.2280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1570 -0.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5143 -2.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0142 -2.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7715 -3.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2714 -3.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0142 -2.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2570 -1.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7570 -1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9998 0.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 0.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 2.3541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2002 1.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 -1.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4722 -2.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6463 -4.2761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9866 -5.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0698 -5.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4015 -4.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6143 -3.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3824 -0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0422 -0.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -0.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9589 -0.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6513 -0.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3889 -2.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7292 -3.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1773 -4.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8772 -4.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2142 -2.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8512 -0.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4541 -0.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 0.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7426 1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 1.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3368 2.4126 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 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 57 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 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 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 55 57 1 0 0 0 0 56 59 1 0 0 0 0 57 58 1 0 0 0 0 M END