MMs01458676 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 56 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 -0.0491 -1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2246 -2.2913 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1661 -1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 0.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 -1.6581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6601 -4.0977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0443 -3.5476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8239 -0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1619 -1.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2436 -3.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4181 -0.6969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7561 -1.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0123 -0.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6065 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9445 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0262 -2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7700 -3.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4320 -2.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -3.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 -2.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6709 -3.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6676 -4.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -5.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 -4.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 -5.3025 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 -0.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 1.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 0.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 -1.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -2.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -4.6688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0036 0.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 0.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3527 0.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 -2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5764 -2.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1920 0.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7324 0.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5412 0.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2929 0.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1359 -1.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1949 -2.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4975 -3.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5903 -4.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0499 -4.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2406 -2.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0836 -3.8796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 -1.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7114 -2.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 -6.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -5.1419 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 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 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END