MMs01938114 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 -0.7559 -1.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2559 -1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5118 -2.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0118 -2.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2677 -3.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0236 -5.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7558 -1.2683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 1.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 1.3434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.2440 1.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1312 0.1407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7441 3.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5556 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5488 2.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1201 2.5677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.8444 2.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1468 2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1537 0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8581 -0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.4425 2.8784 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 -0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6047 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3952 1.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 1.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1165 -3.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0601 -4.5777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 -6.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 -5.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3606 -2.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7969 -1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1294 -0.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8389 4.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1956 0.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 M END