MMs01640313 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 -1.0325 -1.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 -2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4911 -0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 0.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3757 1.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4082 -0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9821 -1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 -1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8668 0.3123 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.1030 1.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1423 2.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2930 0.2487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7922 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6418 -2.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2927 -1.1259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7312 0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8192 -0.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4690 -1.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2575 0.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.3455 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7838 -0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1340 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5722 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6603 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3100 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8718 -1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5215 -3.0298 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.8729 1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 -0.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 0.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 0.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 -1.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -2.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 -3.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 -2.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 1.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5461 1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8081 -2.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1827 -2.9767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5622 -2.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1958 1.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6959 1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5377 1.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3808 -1.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8809 -2.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2636 1.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8524 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8109 0.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1804 -1.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9741 0.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4753 1.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7717 2.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END