MMs03080720 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 63 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 0.7485 -1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2485 -1.3016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -2.6015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5970 -1.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -3.8997 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6455 -4.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -5.1996 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5940 -4.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -5.2013 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6940 -5.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -3.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -2.6033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6970 -2.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2485 -1.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -1.3068 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1485 -0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6288 -2.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0559 -2.0595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0951 -1.4595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 -0.0943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4801 0.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1747 2.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8052 3.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2684 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1099 -4.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6394 -2.3340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8519 -3.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2230 -2.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4355 -3.4916 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.3185 -2.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5524 -4.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2425 -6.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7425 -6.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3413 -7.5429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 -6.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -7.7977 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6911 -8.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2909 -7.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7455 -3.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1443 -4.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0399 0.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5988 1.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -0.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5889 -3.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1156 -3.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1095 0.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 2.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7662 -1.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9878 -4.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5218 -4.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5531 -1.6129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0871 -1.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6785 -6.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 -7.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0576 -0.5595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0293 0.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6480 -4.3747 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7395 -9.0976 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 59 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 61 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 2 0 0 0 0 39 62 1 0 0 0 0 42 43 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 61 -1 M CHG 1 62 -1 M END