MMs00359720 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.5000 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 -1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 -2.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 -1.2733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5177 -2.5671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1177 -1.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7767 -3.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 -5.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7945 -6.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 -6.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 -5.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 -3.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 -7.7838 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 -2.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -3.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2765 -3.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0176 -2.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5176 -2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2587 -1.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 -1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0354 -5.1343 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.5354 -5.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2944 -6.4384 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0082 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 1.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 0.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 -0.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 -5.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -7.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3356 -5.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9731 -3.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1837 -4.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1247 -3.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4586 -1.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0926 1.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 1.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 25 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END