MMs00178894 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 44 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 0.2622 -1.4769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7786 -2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0729 -3.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 -3.6186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 -2.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -1.4272 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 -2.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5313 -1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5819 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8043 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9107 -3.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3665 -4.1658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8173 -5.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1599 -2.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1944 -1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7058 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1828 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1483 -1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6368 -2.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2642 -2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8277 -0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 -0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2355 -1.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 -3.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1864 -3.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5941 -4.5092 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1815 0.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 1.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1815 -0.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4058 -3.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9476 -3.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9923 -4.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9334 0.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5919 1.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3298 -1.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 -3.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7642 0.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 -1.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 -4.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 41 1 0 0 0 0 M END