MMs02780847 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 1.5000 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7466 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2466 -1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 1.2773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7534 1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5068 2.5704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0068 2.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7602 3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2602 3.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0068 2.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2534 1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7534 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5068 2.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2602 3.8517 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0016 0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 2.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9039 1.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 -2.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -1.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1561 2.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8561 2.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8438 -2.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 -2.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6561 2.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9095 3.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1630 4.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8629 4.8972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8506 0.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1506 0.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2534 1.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 37 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 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 2 0 0 0 0 M CHG 1 24 -1 M END