IBS-ZINC06745471 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 0.3220 1.3740 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 0.0530 0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -0.4690 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -1.7620 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -2.4150 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -1.7860 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -0.4870 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 0.1660 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -2.5190 0.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8240 -3.5050 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 -1.7900 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 -2.5410 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 -3.3280 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9060 -3.9440 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7700 -3.8010 1.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4060 -3.0060 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2140 -2.3720 2.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2750 -2.8320 3.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5880 -3.4740 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8860 -4.1180 4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2320 -2.5950 5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9370 -1.9340 4.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0870 -3.6280 6.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5830 -2.4130 7.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2210 -1.5400 6.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6470 -0.8300 7.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 -3.4980 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 -4.1780 -2.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4460 -2.7640 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 1.6420 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 1.4270 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 2.0930 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.2680 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -3.4240 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 0.0370 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 1.1690 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -1.6840 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -0.7800 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 -4.5880 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3490 -2.7140 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6920 -4.2540 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9320 -4.4360 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2300 -4.9750 4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5680 -3.4470 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1280 -1.8680 6.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8850 -1.6280 4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5330 -1.0180 4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2620 -4.1610 7.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9230 -4.3150 6.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2970 -2.7060 8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7520 -1.8690 8.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 -1.8280 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -3.3750 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6530 -3.1250 5.6200 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.3010 -2.3150 5.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 54 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END