IBS-ZINC02134977 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5250 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.5210 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.5350 0.1400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8910 -0.1120 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -0.1400 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -0.9660 -1.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 1.1320 -1.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 1.7760 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 1.5420 -2.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9420 0.7170 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 2.7300 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 2.8190 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 3.9090 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 4.9110 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 4.8220 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 3.7290 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 1.9140 -3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 1.8450 -3.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.9950 0.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -2.5860 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -1.9210 2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -4.0560 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -4.7390 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -6.1170 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -6.8200 1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -6.1550 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -4.7700 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -4.0630 -0.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -4.5430 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -2.7210 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -2.1400 -1.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9010 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8940 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.8690 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -0.3500 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -0.1770 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -1.6110 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.1440 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 2.0360 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 3.9790 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 5.7630 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 5.6050 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 3.6580 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -4.1940 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -6.6510 3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -7.8980 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -6.7110 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 2.3230 -4.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 2.5510 -5.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 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 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 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 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 49 50 1 0 0 0 0 M END