MMs03514691 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 58 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 -0.7404 1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9807 2.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4807 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2403 1.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7402 1.3488 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1402 2.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7593 -1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0189 -2.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5190 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7594 -1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2594 -1.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5191 -2.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2593 -1.2159 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.8939 2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0358 3.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7644 4.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3512 5.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2092 4.1286 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2092 5.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7959 4.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5246 6.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 -0.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5923 -1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 0.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 1.3045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6268 3.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0156 3.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 3.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7768 3.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8037 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4076 -1.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2959 0.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6266 -3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 -3.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5627 -3.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9268 -3.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 -1.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3564 1.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3016 1.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6435 2.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1604 3.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9644 4.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9641 5.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9435 6.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4262 5.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4806 2.6534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 3.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5234 4.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 54 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 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 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 55 56 1 0 0 0 0 M END