MMs01038085 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 -0.7428 -1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -1.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2571 1.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7571 1.2616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0415 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3484 -0.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8031 0.7013 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.4031 1.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0603 2.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4565 3.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2498 0.3050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3163 1.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9361 2.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7630 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1432 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5899 -0.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6564 0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2762 1.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8295 2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3428 2.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4093 3.7316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7427 -1.3364 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2427 -1.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5143 2.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0143 2.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 -0.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5942 1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 0.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 0.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2149 1.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5539 -0.8558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2900 -1.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8941 -2.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8138 -0.1459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5254 3.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1128 -1.7323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4446 -2.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2715 3.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6773 4.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 3 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 28 29 2 0 0 0 0 28 42 1 0 0 0 0 42 43 1 0 0 0 0 M END