MMs02087952 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 59 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 1.3777 0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 -0.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7409 -0.9104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7801 -1.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1186 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2938 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0913 2.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6716 1.7656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8741 0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3063 1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1729 0.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2764 -1.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8556 -0.6309 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.8695 -2.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3592 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2558 -1.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6627 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7874 2.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7976 3.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2584 3.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7395 4.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2105 4.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5657 -2.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7682 -3.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4745 1.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 -0.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4745 -1.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7191 1.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 1.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -1.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 -1.3065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 1.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2871 -1.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8193 -1.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3945 -1.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3166 -0.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8117 2.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7016 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9384 -3.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0142 -3.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4312 -3.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0787 -2.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2589 -0.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5938 1.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8305 0.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5533 4.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7124 5.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4454 3.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3872 4.9788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9755 5.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5383 -0.0138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6785 1.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1879 -2.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 -4.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 55 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 55 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 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 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 55 56 1 0 0 0 0 57 58 1 0 0 0 0 M END