MMs02829972 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 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 1.5000 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 1.3071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0453 1.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 2.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 3.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 2.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 -1.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7453 1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2453 1.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2546 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7546 -1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 0.0378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6494 -2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7677 -3.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6163 -5.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0641 -2.8761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7469 -1.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7466 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4366 -3.4813 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4366 -2.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7329 -2.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8512 -3.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2461 -5.0988 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.5346 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1729 -6.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7537 -4.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -2.9482 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2959 -1.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -0.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5742 1.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5686 3.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1069 4.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4401 5.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5233 5.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 4.3251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 3.3889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4126 1.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1416 2.3604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8415 2.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8584 -2.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1584 -2.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 1.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0241 -1.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6218 -1.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5531 -2.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8926 -4.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5608 -5.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7580 -6.1473 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 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 33 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END