MMs01453414 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 0.4850 -1.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5216 -3.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 -3.3612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -4.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 -1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1185 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9392 0.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -0.6509 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0773 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -2.7295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -3.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8153 -4.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1947 -5.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3947 -4.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2154 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8361 -2.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6568 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8569 -0.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2774 -0.3404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2982 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1189 3.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3190 4.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -5.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8781 -2.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 -1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 -3.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 0.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 1.1355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 -0.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8419 -2.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3736 -2.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8552 -5.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3381 -6.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4982 -4.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1755 -2.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9497 0.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5558 2.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8405 0.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4466 2.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9705 3.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 4.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 5.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -4.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2738 -6.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2264 -5.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6566 -3.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 -5.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 -4.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 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 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END