MMs02048454 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 53 0 0 0 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 1.3009 -0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5943 1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 2.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3047 2.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1999 1.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4933 -0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4895 -2.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0914 -0.7728 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.3923 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6894 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9903 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1025 -1.0391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4890 -2.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9976 -2.2473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2769 -0.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9941 1.4674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6970 2.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3960 1.4739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0197 1.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -0.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 -0.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3039 -1.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2904 3.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 3.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0783 3.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6764 3.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1337 3.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6132 2.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3811 1.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6643 -1.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1216 -1.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 -1.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 0.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0252 0.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5679 0.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0864 -3.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7000 3.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7942 1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 -0.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6018 1.4935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 49 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END