MMs00453291 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 36 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 1.3055 -0.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -2.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 -2.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 -2.9547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5145 -2.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 -0.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -2.9322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -2.1709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1125 -3.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0994 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3919 0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3789 1.5902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6714 2.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4180 -2.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4310 -4.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 0.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5909 -1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2846 -2.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6345 -4.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 1.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2324 -4.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8304 -4.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9195 -0.8896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 0.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8121 -1.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5718 0.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2804 1.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7053 2.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0623 3.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7104 -2.1483 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 M CHG 1 36 -1 M END