MMs01648714 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 62 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 -0.7602 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 -3.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 -3.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -2.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 -1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 -5.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5913 -7.7734 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7466 -8.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 -9.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 -7.6082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5585 -7.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9606 -6.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2516 -7.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 -6.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0232 -7.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5107 -4.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7564 -5.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2583 -4.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7295 -7.0576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2046 -6.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1778 -7.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6529 -7.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1549 -6.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1817 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7066 -5.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6300 -5.9694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.3580 -4.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9021 -7.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1051 -5.6974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 -0.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6081 1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 0.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1796 -2.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1887 -4.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2202 -2.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 -0.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3674 -6.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1113 -7.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1815 -10.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 -9.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 -5.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 -7.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1701 -7.9649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7979 -7.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -8.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2198 -7.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1662 -3.7836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6059 -4.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3279 -8.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7762 -9.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4314 -8.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5833 -3.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9281 -4.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5067 -4.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8837 -6.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 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 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 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 52 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 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END