MMs03079377 MOE2007 2D CORINA 3.40 0006 02.08.2006 47 49 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 0.0049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2457 1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4915 2.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7542 1.2966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4767 4.0231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 4.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 4.0311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 4.4820 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0563 5.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 5.9070 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6836 7.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 5.9021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0730 5.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3318 4.4740 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6424 3.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 3.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7569 4.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8749 5.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2999 4.5377 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -8.7681 5.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7250 4.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8430 5.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5359 6.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2681 4.6013 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.4272 4.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3861 5.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8111 5.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7055 5.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 7.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2741 8.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 7.1234 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7457 1.3113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5966 -1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 6.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 2.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7001 3.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4429 6.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9529 6.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3491 0.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 2.3525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8318 3.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5751 3.1331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7152 2.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6807 2.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6318 2.2182 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 35 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 34 41 1 0 0 0 0 34 42 1 0 0 0 0 43 47 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 33 -1 M END