MMs00036792 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 63 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 1.4209 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5477 -0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7149 1.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6835 1.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9775 3.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8103 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2311 1.4138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9205 0.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6773 2.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1772 2.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6580 1.4432 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5065 2.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4552 0.5469 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8552 -0.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9360 -0.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8821 0.5763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7306 -0.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3030 1.0571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4298 0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1357 -1.4039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6834 -1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9774 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8506 0.5477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3983 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6924 1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1132 1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2400 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9460 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5251 -0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2540 -1.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3565 -0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7298 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3846 1.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 -0.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 -1.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 -1.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -0.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 3.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 2.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5006 3.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7883 4.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3249 -2.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6126 -1.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5382 2.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0272 -3.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5848 -2.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7909 2.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3485 3.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2898 -2.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0735 -1.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3883 0.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 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 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 30 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 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 34 2 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 56 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 57 1 0 0 0 0 37 58 1 0 0 0 0 M END