MMs01276653 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 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 -1.2058 0.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 0.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9758 -1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4759 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8495 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9728 -0.4971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3954 -0.0213 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9195 1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8712 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8179 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9412 -0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3638 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6629 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5395 2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1170 1.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0854 1.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3846 3.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2088 0.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6313 1.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7547 0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4555 -1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1772 0.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.3006 -0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0014 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1248 -2.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.5473 -2.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.8465 -0.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7231 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0222 1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3214 3.2675 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -21.4921 1.4985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -18.5524 2.0968 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -21.6707 -3.1301 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 0.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1955 2.0921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -2.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 1.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7887 1.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7335 -1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7019 -1.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2625 -0.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7789 3.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2183 2.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0588 2.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5705 2.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4165 2.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8634 -1.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8855 -3.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.9845 -0.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 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 47 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M END