MMs01868076 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 66 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 1.5000 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7444 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 -1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 -1.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2444 -1.3342 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6444 -2.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9889 -2.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4888 -2.6428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3653 -3.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0472 -5.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6187 -5.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1577 -6.3344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9032 -7.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5862 -5.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6966 -6.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9043 -4.4110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7939 -3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8003 -1.9026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3757 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9182 -0.0045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9267 1.1060 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7676 1.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3925 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4010 1.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8669 1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8753 2.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4179 4.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9520 4.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9435 3.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4692 2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4777 3.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3329 -3.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 2.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 2.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -2.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -2.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6150 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -2.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8595 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1922 -3.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7455 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9383 -0.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4075 0.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2328 0.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0480 2.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2246 5.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5860 5.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3572 3.4541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6988 -5.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4757 -3.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9669 -2.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4044 1.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0033 2.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6374 3.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 62 63 1 0 0 0 0 M END