MMs01274514 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 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 1.5000 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 -1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 -1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 -2.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -3.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5272 -5.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0272 -5.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7704 -3.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0136 -2.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7567 -1.2636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2567 -1.2557 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2488 0.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 -2.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7567 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5135 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0135 -2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7566 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 1.3502 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7430 1.3659 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.2566 -1.2242 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7703 -3.8459 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0063 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 1.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 0.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5704 -3.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9327 -6.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6326 -6.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9703 -3.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 -0.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6189 -3.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 M END