MMs00799638 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 -1.3046 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 1.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2822 2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3158 2.2403 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9026 -0.7210 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5006 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5118 -2.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 0.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0986 -0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1098 -2.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4144 -2.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7078 -2.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6966 -0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3920 0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9900 0.0967 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -13.0124 -2.9032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.3058 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6104 -2.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6215 -4.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3281 -5.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0235 -4.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0347 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 -1.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2733 3.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4178 0.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9605 0.9637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7851 1.2580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0750 -2.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4233 -4.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3831 1.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5276 -1.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0703 -1.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0124 -1.7532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7937 -3.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1063 -6.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5636 -6.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8402 -4.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6215 -5.5338 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 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 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END