MMs02504145 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 67 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 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 -1.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 1.2733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6540 2.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1395 2.4841 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9880 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5646 2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5599 0.5161 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5992 1.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1319 0.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7707 -0.3693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1987 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0766 -1.1265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1912 -2.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7660 -1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6482 -2.8695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9555 -4.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3806 -4.8057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4985 -3.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9236 -4.2734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2309 -5.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0414 -3.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8376 -5.3379 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.6804 3.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 5.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2285 6.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2356 7.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7019 7.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1610 5.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1538 4.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7090 8.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -2.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3427 -2.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 2.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 2.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6277 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9661 2.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8177 3.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7576 1.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5731 1.2299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0563 -5.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4767 -6.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4054 -5.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8416 -4.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9357 -2.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2412 -2.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0555 6.7049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8684 8.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3339 5.5657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5211 3.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5983 7.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5148 9.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8198 9.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 M END