MMs02343977 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 1.4491 -0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 1.0266 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5491 2.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 0.9880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8753 -0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1859 -1.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6395 -1.3002 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3133 -0.0233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6239 -1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6018 2.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6319 -0.7384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 -1.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9105 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 1.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2291 -0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5077 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1048 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0649 1.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7463 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4677 1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 2.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3964 2.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4459 -1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3101 1.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 0.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3101 -1.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4825 -1.6087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0246 -1.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8582 -1.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1597 -0.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0877 2.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7143 3.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4129 2.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4463 -0.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -2.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -2.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 3.6166 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 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 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 M CHG 1 40 -1 M END