IBS-ZINC05143481 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.5120 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.0630 2.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0300 1.0260 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.5920 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.0770 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5350 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -0.4290 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -1.1410 2.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -1.4980 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0510 -1.1140 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -0.3670 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -0.0420 0.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 0.0380 -0.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 0.8250 -2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 1.1330 -3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 2.2850 -2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4670 2.5680 -3.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6780 1.7000 -4.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 0.5490 -5.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9490 0.2680 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4820 -1.4910 1.1640 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.3120 -0.7560 1.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8300 -2.5350 0.6420 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7340 -2.2430 3.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.6160 3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -1.6010 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.1020 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -1.6810 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.2620 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -0.1630 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 -0.1980 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 1.7560 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 0.2550 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 2.9630 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0600 3.4670 -3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4340 1.9210 -5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0840 -0.1290 -5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 -0.6290 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -2.5080 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -2.5000 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -0.2420 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -0.2960 4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -1.7050 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END