MMs03129591 MOE2007 2D CORINA 3.40 0006 02.08.2006 32 33 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 1.3694 0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 -0.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 -0.3811 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2732 -1.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 -0.9950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1115 -1.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9592 0.1169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5592 1.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2129 1.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 1.1102 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7448 2.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3762 1.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4506 -0.0441 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6097 -0.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8270 1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0568 -1.4161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 -2.4631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1427 -3.4637 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0252 -4.4643 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 0.1940 1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 1.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 -0.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 -1.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2585 1.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6696 2.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5350 1.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2499 -1.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9395 2.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 2.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5516 0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 20 21 2 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 M CHG 1 20 1 M CHG 1 21 -1 M END