MMs01044731 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 0.2940 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7232 -2.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -3.8814 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4819 -3.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 -2.0976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 -0.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2372 -2.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0623 -3.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6846 -4.4837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -4.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6148 -1.8072 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2082 -3.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -0.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9924 -1.2137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1952 -2.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5728 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7477 -0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1253 0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3280 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1531 -1.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7755 -2.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6006 -3.9028 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1767 0.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2352 1.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 -0.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -2.4334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 -5.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2272 -5.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 -3.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1324 -0.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -2.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 -3.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7855 0.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2653 1.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4302 0.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1153 -2.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 M END