MMs03699498 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 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 -0.0087 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -2.2575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 -3.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 -4.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 -4.5151 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5718 -3.3151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7199 -6.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -6.3282 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9428 -5.0335 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2534 -3.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -4.8854 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8355 -5.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3101 -6.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8028 -5.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -7.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5666 -8.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0536 -3.5187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3539 -2.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5463 -3.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4208 -4.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 -1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5316 -3.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0243 -2.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6424 -1.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7678 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2751 -0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 -6.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 -7.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1893 -1.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4257 -2.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3286 -1.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -9.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2663 -9.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5415 -7.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0017 -1.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2550 -0.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0371 -4.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 -3.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8365 -1.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2622 0.7525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5754 0.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -5.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0733 -6.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 -7.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1513 -7.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9719 -8.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -7.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 -3.9130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -2.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 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 8 1 0 0 0 0 6 53 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 53 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 53 54 1 0 0 0 0 M END