IFLAB-ZINC00136862 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.0580 1.4520 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.0490 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.7740 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -2.1710 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.8210 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -4.2250 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -4.7760 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.9390 -2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.5570 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.9840 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.6450 -1.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -2.8780 2.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -0.1110 2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -0.7940 3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 1.4370 4.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 1.6420 4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 2.7600 5.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 4.0690 5.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 3.8830 4.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 2.7710 3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 1.8270 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 1.8150 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 1.8710 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -4.9140 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -5.8540 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.3560 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -1.9080 -3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -3.7620 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -0.7630 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 0.7430 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -1.2920 4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -1.4700 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -0.4320 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 1.0510 4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 1.8820 4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 0.7280 5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 2.9070 6.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 2.4600 6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 4.4420 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 4.8270 6.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 4.8230 4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 3.6440 5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 2.6770 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 3.0790 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 0.3870 3.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9340 0.8490 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 45 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END