MMs01371468 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 59 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 0.7422 -1.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 -2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 -3.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 -5.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 -3.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -3.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 -5.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 -2.6160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3733 -1.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7971 -1.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7881 -3.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 -3.8437 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0159 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8680 0.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0868 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4534 0.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6013 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 -1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9679 -1.3766 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2888 -6.4816 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5834 -5.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -7.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0466 -7.7761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 -9.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 -10.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 -9.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 -7.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -6.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0773 -7.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3980 -8.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2893 -9.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0428 0.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 -0.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 -1.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4733 -3.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5627 -6.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 -1.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7547 -4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7747 0.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9685 2.5469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4284 1.4339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5008 -2.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4019 -8.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -10.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 -10.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2766 -11.1137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3915 -5.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9643 -6.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5414 -9.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5458 -11.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 41 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 42 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 M END