MMs00542289 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.3035 -0.7423 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2642 -1.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9015 -0.7268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 -2.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6159 -2.9845 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5766 -3.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3124 -2.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 -4.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4817 2.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4995 -0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0976 -0.6959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1065 -2.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8642 -3.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3642 -3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0797 2.3040 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0708 3.8040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3832 1.5618 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5938 1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 0.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 -1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8212 0.9301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 0.9393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0909 -2.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 -3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 -4.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -5.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -4.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 2.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4746 3.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5067 -1.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1332 -0.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2656 -1.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9894 -3.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0796 -4.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -3.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1629 -4.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END