MMs00689792 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 1.2958 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 1.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9068 2.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 1.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5049 2.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1736 2.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4919 3.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1725 0.9512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4168 -0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0210 -1.7175 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9510 -0.0263 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6649 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5413 -0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0338 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6498 1.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9102 -1.1828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4026 -1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0187 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5111 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 -0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7715 -2.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2790 -2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8800 -0.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 -1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 -1.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0631 -1.6782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8886 -1.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 -0.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9121 3.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5679 2.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5101 3.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3392 2.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7457 1.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4605 -0.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8671 -1.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4173 -2.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3175 1.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0040 1.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4726 -3.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7862 -3.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5811 -1.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 16 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 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 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 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END