MMs01379935 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 66 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 0.7454 -1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -1.3069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6454 -0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -2.6086 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5909 -3.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4909 -2.6138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2454 -1.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2545 1.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 -1.3227 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7454 -1.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7545 1.2649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2545 1.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2545 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5090 2.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0090 2.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2636 3.8577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0181 5.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2727 6.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7727 6.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0181 5.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7636 3.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2454 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9437 -2.0944 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.9908 -2.6506 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.5470 -0.6035 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2363 -3.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9818 -5.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -5.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7234 -6.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -5.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -4.0565 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 0.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 -0.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6909 -2.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 2.3283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0545 1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3738 0.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 1.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1581 2.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3963 -1.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4545 1.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1126 3.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9347 4.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9401 5.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4017 6.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0684 7.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1016 5.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0962 4.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9678 2.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6345 3.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -5.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8447 -7.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 -6.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 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 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 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 49 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 34 35 3 0 0 0 0 36 37 2 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 62 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 M END