MMs03724538 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 1.3046 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5869 1.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2823 2.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8803 2.2789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 3.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1849 1.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 2.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9026 -0.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 -2.2210 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6203 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -4.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -5.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 -2.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 -2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -6.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5006 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9397 1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4046 1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 0.5802 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7642 -0.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1688 -0.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6571 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5297 1.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5923 1.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0437 0.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 -0.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -1.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 -1.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 -5.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 -5.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 -1.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 -1.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 -1.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8745 -3.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 -6.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3581 -7.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 -6.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 -1.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2787 -1.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 2.3472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0253 3.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4972 2.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -1.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1449 -1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 -0.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7396 -0.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7241 1.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 11 2 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 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 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 53 1 0 0 0 0 M END