MMs01649679 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.4304 0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 -0.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9671 -0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2913 1.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7218 1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 -0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0733 -1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 -1.4325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9118 -2.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9196 -0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 0.9372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3841 -0.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3972 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8617 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3132 -1.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8748 1.1258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3393 0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3523 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8169 1.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2684 0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2553 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7908 -0.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7329 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0571 1.2935 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 21.1975 -0.4953 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19.4087 -1.6356 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 1.1444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1444 -0.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 -1.1444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 1.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 1.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 2.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9811 2.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -2.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3849 0.9882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8560 1.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5136 2.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9911 3.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6273 2.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6165 -2.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9804 -1.5139 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M END