IBS-ZINC05164720 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.0830 1.4370 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -0.0920 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5460 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.0720 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -2.5190 1.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -2.1360 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -0.6110 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -3.8840 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -4.5810 1.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -5.8960 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -6.5350 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -5.7690 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -4.4580 1.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -6.3630 1.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -6.1970 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -6.9170 0.8070 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2600 -7.9850 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -6.4040 1.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -6.5500 3.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8950 -6.1160 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -5.8260 3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -8.0350 3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3090 -6.6810 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -7.9950 2.0140 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9450 -8.4320 3.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -8.7600 1.0690 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5220 -6.6180 1.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 1.8060 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 1.7590 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.8350 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -0.4910 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -0.2150 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -0.1140 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -2.5040 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.3980 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -2.5660 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -2.5070 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -0.1800 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -0.3270 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 -5.1360 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -6.6240 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -5.9830 3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -4.7600 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 -8.4680 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -8.1460 4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -8.5500 3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 -7.0690 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2630 -7.1940 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 -5.6120 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -6.1660 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -7.5760 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END