MMs03228656 MOE2007 2D CORINA 3.40 0006 02.08.2006 69 71 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 0.7573 -1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0146 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -1.2864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 -1.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.3117 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6427 2.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 2.6149 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5853 3.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 2.6234 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6853 2.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2426 1.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6999 0.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 -1.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 -1.2610 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1572 -2.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5145 -2.5558 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1145 -3.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0145 -2.5474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2145 -2.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7572 -1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0506 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1999 0.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0999 1.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7426 1.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7425 1.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2425 1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7718 -3.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2718 -3.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0144 -2.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5144 -2.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2717 -3.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5290 -5.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0291 -5.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7717 -3.8084 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.5144 -2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5290 -5.1032 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7718 -3.8591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5291 -5.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0291 -5.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7864 -6.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 3.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 5.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 3.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7427 1.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 0.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0358 -0.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 -2.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3367 2.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6126 1.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9443 2.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8367 2.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4086 -1.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1085 -1.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1349 -6.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4349 -6.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 -3.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7439 -5.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1923 -7.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8290 -7.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1516 3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1429 4.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 6.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1368 2.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 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 52 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 41 42 1 0 0 0 0 41 61 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 62 1 0 0 0 0 44 63 1 0 0 0 0 44 64 1 0 0 0 0 45 46 1 0 0 0 0 45 65 1 0 0 0 0 45 66 1 0 0 0 0 46 67 1 0 0 0 0 47 68 1 0 0 0 0 48 69 1 0 0 0 0 M CHG 1 38 1 M CHG 1 40 -1 M END