MMs00443585 MOE2007 2D CORINA 3.40 0006 02.08.2006 35 37 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 0.0111 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 -2.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 -1.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3267 -3.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 -5.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 -6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -4.7357 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -3.7595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 -2.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5869 -1.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5648 -4.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8693 -3.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8804 -2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1628 -4.5383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4673 -3.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4784 -2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7829 -1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0764 -2.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0653 -3.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7608 -4.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3588 -4.5766 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 -6.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -7.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -5.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 -5.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1539 -5.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4436 -1.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7918 -0.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1200 -1.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7519 -5.7574 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 11 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 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 31 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 M END