MMs03454574 MOE2007 2D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 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 -0.7572 -1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 -2.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -1.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7082 -1.6316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6044 -0.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8567 -3.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -3.7267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1515 -3.8814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 -3.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 -1.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7496 -3.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7412 -5.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -6.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3392 -5.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3476 -3.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0527 -3.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0611 -1.6532 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7663 -0.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3643 -0.9104 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.6341 -6.1676 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6257 -7.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9373 -5.4248 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5942 1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9572 -1.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6202 -3.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1058 1.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 -5.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 -5.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0294 -7.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3901 -3.3162 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 23 1 M CHG 1 25 -1 M END