MMs03117863 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.2960 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 -0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4921 -0.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4861 -2.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0313 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9456 0.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9569 1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4254 1.7659 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1702 0.4638 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7702 1.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1620 -0.6469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 -2.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8927 -2.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3493 -3.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6553 -4.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5365 -5.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8425 -7.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7238 -8.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2991 -7.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9931 -6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1118 -5.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6613 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2659 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7571 -1.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6436 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0390 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5479 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 0.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -1.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 -1.6775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 0.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 0.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -1.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6617 -1.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7569 1.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8363 2.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7175 -2.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2349 -3.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7697 -4.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2871 -5.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9823 -7.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9686 -9.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 -8.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8533 -5.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8670 -3.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5567 -2.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2408 -2.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8365 -0.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7482 2.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0642 2.6092 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 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 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 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END