MMs01887730 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 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 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 1.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 -1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7453 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9907 -2.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2453 -1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9906 -2.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4906 -2.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2360 -3.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7360 -3.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4906 -2.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4813 -5.2445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9813 -5.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7266 -6.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2266 -6.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2546 1.2695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7546 1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0093 2.5766 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 2.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3416 -2.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6416 -2.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3869 -3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0943 -1.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1069 -4.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4401 -5.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8776 -6.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7772 -4.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1104 -4.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 2.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9720 -7.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5683 -8.8893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 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 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 41 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 40 1 0 0 0 0 24 25 2 0 0 0 0 41 42 1 0 0 0 0 M END