MMs02504225 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 63 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 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7445 -1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2444 -1.3339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6444 -2.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1210 -2.5511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9695 -3.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5495 -2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5558 -0.5936 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5951 -1.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1312 -0.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7731 0.2829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1977 -0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0845 1.0232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2080 2.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7794 1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6690 2.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9870 4.2572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4155 4.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5260 3.7063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7336 6.1806 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.2404 2.3338 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6514 -3.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6504 -5.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1799 -7.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6484 -7.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1179 -5.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1189 -4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6474 -8.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6401 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -2.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3598 2.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 2.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6151 -1.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 -2.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7941 -3.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7435 -1.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5637 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9367 4.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2416 4.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3232 2.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0061 -6.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -8.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2927 -5.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4946 -3.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7522 -9.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4465 -9.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5425 -7.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 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 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 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 30 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 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 49 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 23 28 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 37 57 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 M END