MMs00484061 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 43 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 1.4999 0.0124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 2.6353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0783 3.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7175 3.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4567 5.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 2.6478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7390 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2389 1.3675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4389 1.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2604 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7603 -1.1932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5211 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0210 -2.4735 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.6296 -3.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6124 -1.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 1.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 2.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 0.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 0.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5696 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8755 -0.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2179 -1.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2815 1.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6238 0.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1362 -1.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4786 -2.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3517 -0.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 3.9157 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.7819 -3.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 -3.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3905 -4.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9781 2.6727 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0223 2.0813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5695 3.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9340 3.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 M CHG 1 19 1 M CHG 1 37 -1 M CHG 1 41 1 M END