IBS-ZINC04954912 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 3.0200 1.8460 -3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 0.8670 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 0.2430 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -0.5130 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -1.5130 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -2.3090 -3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -3.5620 -3.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -3.7230 -4.3710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4780 -3.0190 -4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -5.1380 -4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -5.7420 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -4.6900 -2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -4.8340 -1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -6.8710 -2.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -5.7790 -4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -7.0720 -4.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -5.1720 -5.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -5.5470 -7.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -4.9800 -7.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -4.0390 -7.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -3.6640 -6.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -4.2310 -5.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -3.4340 -5.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.4500 -6.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -2.1790 -7.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -2.8910 -8.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -3.8680 -7.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -4.1360 -6.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -2.6110 -9.8670 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9810 -1.8330 -10.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -3.1670 -10.3410 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3260 2.3670 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 1.3350 -3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 2.6030 -3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.3530 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 0.3890 -3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 0.0980 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 1.3120 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -0.1500 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -1.5880 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 -0.3650 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -1.2520 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -2.1090 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -1.7350 -4.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -2.5520 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -7.3440 -4.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -6.2760 -7.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -5.2730 -9.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -3.6030 -8.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -2.9340 -5.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -3.9390 -4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -1.8980 -6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -1.4210 -8.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -4.4320 -8.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -4.9030 -5.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -0.2190 -1.8570 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3270 -0.4160 -2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 56 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M CHG 1 56 1 M END