MMs01006847 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 0.7511 -1.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 -1.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2511 -1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 -2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0022 -2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2534 -3.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0045 -5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7511 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6339 -2.5060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0600 -2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0587 -0.5412 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7482 0.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 -0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2715 0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1134 1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6423 -0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8551 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2259 0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1713 -2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8004 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 -2.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9676 -1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8096 0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0223 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3932 0.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5512 -0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3385 -1.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0387 0.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 1.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 -0.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3991 1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1031 -3.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 -5.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6054 -6.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0432 -4.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 0.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1189 1.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9912 1.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5253 1.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5152 1.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4231 -0.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5011 -3.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0352 -3.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6033 -1.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5111 -2.9236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6188 -2.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0847 -3.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7129 0.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8959 2.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3634 1.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6479 -1.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4650 -3.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3840 -1.4852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 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 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 57 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 M END