MMs02535446 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 52 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 1.0720 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 -0.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5886 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2159 -3.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 -1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1052 -2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8864 -3.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2301 -4.4909 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2794 -3.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 -2.0898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7633 -3.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3158 -5.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3844 -6.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7998 -5.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 -4.0753 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 -4.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1466 -3.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8961 -1.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2253 -0.9441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2972 -1.9933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6306 -3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1831 -4.7316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2517 -5.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7677 -5.6886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7762 -1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7326 -2.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2115 -2.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7340 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7776 -0.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2987 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3423 0.8187 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 0.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8576 0.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8394 -0.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 -1.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 -2.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 -0.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0088 -0.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8231 -4.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5085 -2.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4213 -6.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8555 -5.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8212 -1.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6937 -7.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3146 -4.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9766 -3.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9172 -1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1957 1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 25 2 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 M END