MMs00957169 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 1.4206 0.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3819 -2.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -2.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 -0.5345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 -1.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0644 -1.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3577 0.4285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2304 1.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8098 0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7783 0.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0716 2.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9056 -0.0795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2162 1.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6123 -1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7396 -2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1602 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4535 -0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3262 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8742 -0.1060 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.3557 -1.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3926 1.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2948 0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7402 1.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2401 1.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7216 0.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5193 -0.4908 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.1540 -0.0393 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3852 1.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1365 -0.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3852 -1.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1181 -2.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1473 -4.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 -3.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2032 1.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7076 -2.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2205 -2.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2464 -2.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6642 -1.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1666 2.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6537 2.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 0.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6278 2.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0532 -1.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -2.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8034 -3.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3163 -3.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3422 -3.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3599 -2.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7495 1.4544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2624 1.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0227 2.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9331 2.8065 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 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 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 M END