MMs01134085 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.2419 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 2.7569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6524 0.3311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0727 1.4657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8650 2.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1581 4.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3642 2.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1565 3.9637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4496 5.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 6.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2912 8.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5649 7.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6557 3.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4480 5.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3626 2.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5703 1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2772 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7764 -0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5687 1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8618 2.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6541 3.8158 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 0.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9935 -0.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -0.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 3.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 0.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1171 1.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4777 2.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5055 4.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5562 6.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0828 6.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1170 8.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7385 9.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3056 6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3661 8.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3709 1.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6433 -1.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3419 -1.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7680 1.1797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 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 7 29 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 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 M END