MMs03854495 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 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 1.2951 -0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8932 -0.7703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2039 1.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4912 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0892 -0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0814 -2.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0541 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5436 0.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5567 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0256 1.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7688 0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7593 -0.6714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0635 -2.1402 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5323 -1.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5947 -2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3677 -3.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2478 -4.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5520 -6.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9762 -6.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0961 -5.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7919 -4.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2804 -8.0155 0.0000 Cl 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 -1.0423 -0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -1.9567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 0.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 0.9017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 -1.9703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 -1.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2577 -1.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3567 1.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 2.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6607 2.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1243 2.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7433 1.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5671 -0.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1085 -4.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6561 -6.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2354 -5.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6878 -3.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 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 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END