MMs01398985 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.5000 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7552 -1.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4896 2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0060 -1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9939 1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2447 1.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7447 1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7551 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2551 -1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7447 1.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7551 -1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2551 -1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0103 -2.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2655 -3.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5103 -2.5318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2655 -3.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7655 -3.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5207 -5.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7759 -6.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2759 -6.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5207 -5.1299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5311 -7.7159 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.5103 -2.5198 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6594 -2.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3594 -2.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 2.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5264 3.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8854 3.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4527 1.9999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 1.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4484 2.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 2.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8707 1.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0999 1.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8844 -1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5515 -2.4425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -1.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4683 -2.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0420 -0.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3811 -0.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1061 -1.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7207 -5.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6801 -7.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 53 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 26 32 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 M END