MMs01954102 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 1.3031 0.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 -1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 -2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7860 -1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9509 -0.0511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4197 0.2528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1627 -1.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1530 -2.1595 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6536 -1.2151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5419 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9392 1.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0328 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6355 -1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1264 -1.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0146 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4119 0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9210 1.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3183 2.4112 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.5055 -0.6657 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 -0.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5944 -1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5475 -2.1084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8784 -3.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2385 0.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 1.9289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 -3.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 -3.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1358 -2.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9249 -2.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6085 -2.8085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1225 1.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 25 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