MMs01138496 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.3213 0.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5969 -0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 2.2094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 3.0537 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4553 3.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 4.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6876 4.5394 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1809 3.1276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6677 3.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2592 2.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6156 1.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 0.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1393 1.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3428 3.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8665 4.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 5.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5793 1.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9357 -0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0186 2.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 1.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1634 3.5162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5752 3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 1.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3988 1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1318 3.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 3.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5681 1.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -0.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5681 -1.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 4.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 5.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 0.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3408 -0.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 4.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3444 5.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2249 6.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6757 6.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1013 0.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2209 -1.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7701 -0.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9498 4.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2646 4.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6422 1.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6391 0.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6586 -0.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 0.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0034 0.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 2.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3317 3.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3349 4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7973 4.7459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3153 5.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END