MMs03080174 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 0.0090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 2.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 1.2945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4877 4.0218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 4.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9393 4.0364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 4.4768 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0685 5.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 5.9005 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6997 7.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 5.8915 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0891 5.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 4.4622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6546 3.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1252 3.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7678 3.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8885 4.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3123 4.5150 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.7844 5.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8402 3.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7361 4.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8568 5.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5538 6.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2806 4.5678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.3198 3.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4013 5.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8251 5.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9458 6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6428 7.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3696 5.6176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.2662 6.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6120 4.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 7.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 8.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 7.1193 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7421 1.3215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 -1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 6.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1981 2.9340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7090 3.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9785 2.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4601 6.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9710 6.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2554 4.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7662 4.3483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3484 0.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3359 2.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5836 3.0988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7227 2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6871 2.3012 0.0000 H 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 40 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 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 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 36 37 1 0 0 0 0 39 49 1 0 0 0 0 39 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 38 -1 M END