MMs00168848 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 0.7544 1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0088 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 1.2914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0102 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 1.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 -1.3067 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6456 -2.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9911 -2.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5911 -3.6475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 -2.6134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6911 -2.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 -3.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 -5.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -5.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2367 -3.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 -6.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 -5.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0153 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7000 -0.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 1.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7544 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7544 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0088 2.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5088 2.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2544 1.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 -0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7543 1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0088 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -1.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 0.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -0.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 -3.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1533 -4.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 -6.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 -7.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1772 -6.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -4.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6395 -6.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2772 -6.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8964 -1.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5964 -1.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6123 3.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9123 3.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9587 -0.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5964 -1.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0412 0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7503 0.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9543 1.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7584 2.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0460 1.9537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6123 3.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9716 3.1608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 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 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 M END