IFLAB-ZINC04139400 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 0.1510 1.9050 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 0.4310 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -1.4320 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -1.9470 2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.7470 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -0.2060 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -2.6700 3.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6930 -2.0150 4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -4.0790 3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -4.5810 5.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -5.9480 5.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -6.4500 3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -5.2750 2.7320 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 -2.5850 3.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6100 -1.5320 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 -3.3720 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -2.9480 4.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 -2.1620 5.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -1.1140 5.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 -2.6360 6.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7600 -1.6810 7.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 -2.0830 8.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8290 -3.4410 8.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 -4.3930 7.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -3.9950 6.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 -3.8740 9.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 2.0750 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 2.2950 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 2.4880 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 0.2970 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.1790 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -2.1320 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -1.2710 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -1.2570 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -2.9290 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -0.9020 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -0.0520 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.7920 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -0.8700 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -3.9990 6.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -6.5360 6.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -7.4540 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -4.4510 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 -3.1610 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 -3.1060 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 -3.7800 4.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 -0.6200 7.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 -1.3280 8.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3990 -5.4540 7.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9550 -4.7650 6.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0480 -4.0160 10.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1930 -4.8120 9.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4410 -3.1250 9.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.0960 1.3330 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9510 0.5900 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -2.0830 2.3790 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8640 -2.7910 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 54 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 3 54 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 56 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 56 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 56 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 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 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 54 1 M CHG 1 56 1 M END