MMs00068344 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 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 1.2943 0.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2315 0.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -2.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 -2.2257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2054 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0324 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8924 0.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 2.2743 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5091 -2.2095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 -1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1071 -2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1165 -3.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4015 -1.4352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7051 -2.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9995 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3032 -2.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5975 -1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2845 0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 0.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 -1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 1.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 1.6821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 -3.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0264 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 -0.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3940 -0.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9395 -3.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4822 -3.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3107 -3.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6405 -1.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6236 0.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2770 2.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9472 0.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 5 1 0 0 0 0 3 10 2 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 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 23 39 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END