IFLAB-ZINC04139397 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -2.0860 -1.7870 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -0.8810 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.2870 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.7790 3.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -3.0840 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.6430 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.4740 5.1450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6340 -3.5630 5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -1.9290 5.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -2.6060 5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 -1.8270 5.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -0.5710 5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -0.3370 5.9470 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -2.2660 6.3940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2840 -1.2040 6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -3.0640 6.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -2.6470 7.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.9950 8.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -1.1350 8.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -2.4040 10.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -2.3690 11.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -2.7410 12.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -3.1290 12.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -3.1590 10.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 -2.7890 9.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -3.5580 13.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -1.9040 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -1.3570 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -2.7790 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -0.8260 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.1250 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 0.5890 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -0.0410 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 0.0190 4.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -0.9080 4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -3.4120 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -3.9590 2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -2.4370 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -3.4180 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -3.6220 4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 -2.1680 5.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 0.2230 6.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -4.1330 6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -2.9550 7.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -2.7290 5.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -3.4170 7.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -2.0580 11.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -2.7200 13.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -3.4600 10.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -2.7810 8.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -4.6340 13.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -3.3320 13.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -3.0280 14.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -1.3690 1.5510 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6200 -1.5670 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -2.0250 3.8110 N 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 M CHG 1 54 1 M END