IFLAB-ZINC04280022 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 0.8820 -0.4410 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -0.4320 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.1060 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 1.6820 3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 1.3570 2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 1.6920 4.8280 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6400 2.7500 5.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 1.4240 4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 2.3090 3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 3.1430 2.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 2.1740 2.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3560 2.9240 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 3.2200 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 3.9590 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1310 4.4050 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0520 4.1100 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6670 3.3660 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 5.1330 -1.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8750 5.5600 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 0.8690 6.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 0.1010 5.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 0.0860 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.5160 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -0.1650 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -1.4970 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 0.1380 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -0.3440 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -0.6960 4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 1.1130 4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 2.7480 4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 1.9470 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 1.5950 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 0.3790 4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 1.6390 5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 1.5580 3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 2.8740 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 4.1900 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0700 4.4580 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3850 3.1320 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0450 6.1290 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5290 4.6880 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0900 6.1880 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.0730 2.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 1.3240 3.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 0.9910 7.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 0.4430 7.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 43 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 44 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 44 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 45 46 1 0 0 0 0 M END