IFLAB-ZINC05258092 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.5240 1.8200 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 0.3420 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.1040 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -1.4550 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -2.3850 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -1.9810 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -0.5990 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.1370 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -2.9160 -2.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -4.2880 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -4.9760 -1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -4.9590 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -6.4060 -3.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1200 -6.4510 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -7.0300 -4.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -7.7740 -4.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -8.3940 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -9.3190 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -10.6400 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 2.0230 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 2.2030 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 2.3820 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 0.6040 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -1.7860 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -3.4260 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -0.5830 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -0.4230 -3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 0.9460 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -2.5250 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -4.9120 -4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -4.3850 -3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -8.0610 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -8.8880 -2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -8.8290 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -9.5150 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -11.1610 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -10.5050 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -6.7560 -5.4980 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8290 -7.1820 -2.3730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2480 -6.5270 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -7.4840 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -11.5420 -0.4030 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5530 -12.4550 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -11.7280 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -11.1470 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 42 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 38 -1 M CHG 1 39 1 M CHG 1 42 1 M END