MMs01106915 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 -1.0117 -1.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -2.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 -2.1105 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3659 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -3.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 -3.9238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 -2.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7496 -2.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3696 -4.2160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4966 -5.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0038 -5.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8624 -4.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7354 -3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2282 -3.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8482 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9752 -5.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4824 -5.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6094 -6.9478 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -11.3410 -4.8003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2140 -3.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5941 -2.2146 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.7069 -3.7266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.5798 -2.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9599 -1.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0727 -2.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6926 -4.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1855 -4.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0584 -2.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4385 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9456 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3257 -0.0671 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -18.8054 -5.5307 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 1.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 -0.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4094 -0.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 -2.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5792 -1.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6573 -1.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9119 -2.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5789 -5.9541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1741 -6.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8415 -5.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -6.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2394 -2.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9266 -2.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4712 -6.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8370 -5.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2028 -4.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9942 -4.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.2527 -3.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1368 -0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 M END