MMs02812856 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 50 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 0.6812 -1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 -2.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2928 -2.4772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0177 -3.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 -2.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 -2.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 -4.4530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 -4.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5345 -3.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9484 -4.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0891 -3.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5030 -4.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6438 -3.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0577 -3.5346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.1984 -2.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6123 -3.0615 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.6515 -3.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7531 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4799 -0.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0166 -4.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6669 -6.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5262 -7.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 0.2725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5449 1.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -0.5449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3656 -2.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -3.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -5.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -2.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3573 -5.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8742 -5.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1633 -2.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6802 -2.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 -5.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4289 -4.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7179 -2.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2348 -1.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2726 -1.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7895 -1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 -1.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6874 0.4705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 0.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1670 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8855 -4.5364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9729 -5.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -6.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2993 -8.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0796 -1.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 45 50 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M END