MMs01908658 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 1.5000 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 -1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7451 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7548 1.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7451 -1.3244 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1298 -2.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2408 -3.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0784 -5.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5426 -2.9552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2363 -1.4868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3954 -1.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2441 -0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7102 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7180 0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2599 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7939 2.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7860 1.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2678 2.9569 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9106 -3.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0618 -5.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4298 -5.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6614 -2.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 -2.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3412 -2.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3588 2.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6588 2.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0767 -1.8359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8909 0.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4273 3.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6131 1.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2053 -2.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1074 -3.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 -0.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 -5.9399 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 27 2 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 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 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 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 42 -1 M END