MMs00028455 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 1.2968 0.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6025 -1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8949 0.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 2.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 3.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4885 2.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4929 0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0910 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 2.2771 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6891 0.7848 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6891 -0.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8414 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3077 2.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0616 1.2965 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6616 2.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0612 0.1788 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7506 -0.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8151 -1.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2813 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4337 0.6905 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.4729 0.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7305 1.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0318 0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3286 1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0362 -0.8018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3375 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3420 -3.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6432 -3.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9400 -3.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9355 -1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6343 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6031 1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 -0.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 -1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8494 2.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 4.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5259 2.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -1.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3958 -1.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6414 2.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7124 3.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4103 -1.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4813 -0.7982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9988 -1.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3045 -3.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6468 -4.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9810 -3.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9730 -0.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6307 0.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7978 -1.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 54 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 54 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 2 0 0 0 0 33 51 1 0 0 0 0 34 35 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 54 55 1 0 0 0 0 M END