MMs01727522 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 0.7574 -1.2947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3574 -0.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3774 -2.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3774 -3.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8285 -3.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5859 -4.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 -1.6747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 -0.9173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 0.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -0.1599 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9173 -3.5032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2206 -2.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2291 -1.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5153 -3.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8186 -2.7755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8272 -1.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1305 -0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3879 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8731 -1.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4338 0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7285 -0.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5068 -5.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2882 -5.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7436 -7.3220 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2436 -7.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7152 -5.9066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1183 -8.5491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0358 -0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 -4.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3453 0.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7938 1.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4305 1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9157 -1.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4671 -2.8789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8304 -2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1491 -5.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3124 -8.4304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -9.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4423 1.7096 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 43 -1 M END