MMs02552236 MOE2007 2D CORINA 3.40 0006 02.08.2006 29 29 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 1.3787 0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5798 -0.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1596 -0.6152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5383 -0.0243 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9474 1.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 0.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1181 -0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4968 0.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6744 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4733 2.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0946 2.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6509 4.1364 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.6979 -0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5203 -2.1290 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4727 1.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -0.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4727 -1.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -1.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 -1.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 1.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0175 -1.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9760 -1.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7774 2.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1337 2.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0766 -0.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 2 0 0 0 0 M CHG 1 17 -1 M END