IFLAB-ZINC04251665 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.8180 1.0010 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.4990 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -2.2960 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -2.5840 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -0.8250 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.4760 1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -2.5920 1.1070 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1780 -2.1340 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 -2.0570 2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 -2.4180 2.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 -2.8900 3.3300 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.4080 -3.1590 2.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3800 -3.8730 4.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 -1.3980 4.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1440 -0.4280 3.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 0.7350 4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 0.9200 5.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -0.0590 6.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3840 -1.2270 5.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -4.1050 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 -4.6800 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -6.0630 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -6.8340 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -6.3250 1.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -4.9770 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 1.2180 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 1.4420 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 1.5030 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -0.9690 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -0.9410 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -2.8900 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -2.4990 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -2.0330 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -3.6520 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -0.5940 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -0.1670 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.5980 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -1.0290 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -2.4410 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 -0.9640 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 -2.1070 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8000 -0.5690 3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9820 1.4940 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5140 1.8250 6.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8630 0.0850 7.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -1.9910 5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -4.0600 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 -6.5270 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -7.9170 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -4.6050 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -0.8300 0.3870 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3120 -0.2850 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -2.2390 1.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 51 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 53 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 53 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 46 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 49 1 0 0 0 0 24 25 1 0 0 0 0 25 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END