MMs02218733 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 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 0.7454 1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2545 -1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7545 -1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 -1.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7545 -1.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5091 -2.5718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0091 -2.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7636 -3.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0182 -5.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2636 -3.8577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1410 -2.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5692 -3.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5745 -4.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1495 -5.0681 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9980 -5.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6910 -6.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6986 -7.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1418 2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 2.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 -2.3283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 -2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 1.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 0.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9127 -3.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7965 -1.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1352 -2.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0997 -2.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6252 -1.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8146 -1.9249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7631 -3.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7674 -4.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8281 -5.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2249 -6.8133 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 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 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 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 19 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 39 -1 M END