IBS-ZINC05156295 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.4540 1.1140 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -0.2540 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -0.7130 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 0.0400 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -0.5410 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -1.9040 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -2.6330 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -2.0680 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -3.9160 -0.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -4.6650 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -4.0280 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 -2.7960 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 -2.4860 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 -1.3720 0.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1640 -3.5830 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6070 -3.9680 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9550 -3.2710 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4060 -2.6520 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3110 -1.7140 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9680 -2.4210 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7530 -1.9250 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3690 -1.4650 -1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9600 -2.3890 -2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5170 -1.9660 -3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4860 -0.6170 -4.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9040 0.3110 -3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3500 -0.1090 -2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 1.3140 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 1.7730 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 1.3250 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 1.0910 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 0.0650 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -2.6590 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -4.9840 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0300 -4.0950 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 -4.2910 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2670 -4.3070 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 -4.8180 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7020 -3.9960 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8940 -2.4900 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5380 -3.4690 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5850 -1.3320 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2090 -0.8430 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0070 -3.2480 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1860 -1.7160 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4710 -2.5920 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6290 -1.0700 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9950 -3.4450 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9780 -2.6880 -4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9200 -0.2870 -5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8850 1.3640 -3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9010 0.6290 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 -2.9980 -0.1100 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.5180 -2.1980 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END