MMs02234726 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 54 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 1.2971 -0.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2931 -2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 1.4932 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6020 2.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 3.7466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0510 5.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0157 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 6.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 6.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 3.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2931 2.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.2398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5011 2.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7981 1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 2.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1031 3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 4.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7011 3.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 2.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3962 1.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 0.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 -1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 -1.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 -2.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -3.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 -2.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0055 -1.1355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7804 0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 4.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0157 7.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 5.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3575 7.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7194 7.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6786 7.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 7.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8841 5.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9061 3.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0244 0.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5671 0.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0654 4.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4072 5.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7419 4.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7349 1.6166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3931 0.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 4.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6271 3.9095 0.0000 H 0 0 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 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 53 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M END