MMs01269953 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 -1.5000 -0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 -1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4816 -2.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 -1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 -2.4904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 -2.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 -0.0634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6586 1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6544 2.4817 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4953 2.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1473 2.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7477 3.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 4.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3322 3.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 0.3734 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1439 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 0.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 2.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7257 0.0628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9330 0.9531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2436 -0.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9224 2.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3457 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2359 1.7194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.4997 0.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5427 2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3628 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7407 -1.3255 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 1.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0742 -3.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 -3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 0.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9131 2.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9061 1.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2911 1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7911 3.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4461 4.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 5.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 5.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4799 -1.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 -1.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8596 -1.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7299 2.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6646 3.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8499 4.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3806 3.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8825 -0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4063 -0.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 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 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END