MMs01406741 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 53 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 0.0091 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0483 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3126 -2.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3217 -3.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 -1.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -2.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2051 -1.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5087 -2.2106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8032 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1067 -2.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0886 0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2363 2.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7016 2.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4595 1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4625 0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 -2.2578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 -0.0249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 0.2781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4272 1.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9982 1.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9555 -2.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4104 -3.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 -3.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8862 -2.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4313 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 -3.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6876 -3.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -3.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 0.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0493 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0363 2.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 3.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3239 3.7575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7949 3.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4260 2.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2678 0.4371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8688 -0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4376 -0.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2781 -3.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6021 -4.4503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2396 -5.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0584 -3.0322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2396 -0.4593 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 4 1 0 0 0 0 2 19 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 38 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 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 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 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M END