IBS-ZINC04040157 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 0.0590 1.6970 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 1.2630 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -0.0190 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 0.0040 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 1.2460 2.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 1.5630 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 2.0270 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 3.3760 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 4.1030 0.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 3.7270 1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 5.0420 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -1.0350 3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -1.1520 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -1.8600 3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -3.3050 3.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0250 -3.4260 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -3.5660 4.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.4700 5.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -2.3480 6.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.3760 4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -0.1080 4.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -4.8260 5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -4.7680 5.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -7.2700 5.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -5.7530 6.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -4.2370 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -4.7970 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -5.5840 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -5.4540 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -4.6360 3.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -1.5230 1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 1.7200 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 2.6960 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 1.0250 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 5.7910 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 5.1300 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 5.2130 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -1.0460 4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -0.8470 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -2.0280 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -5.0150 6.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -5.6330 4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -4.7220 4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -3.8840 5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -7.1800 4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -7.4670 5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -8.0680 6.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -4.8510 7.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -5.6430 5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -6.6160 7.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -4.6390 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -6.1690 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 -5.8540 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -0.1260 5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -5.9740 6.1610 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2920 -6.0610 7.0070 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 31 2 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END