IFLAB-ZINC04939596 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -1.9420 -3.3200 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -4.4910 -2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 -2.7490 -1.4320 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9210 -1.9000 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 -2.2020 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -1.1470 -3.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -1.1160 -2.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -0.3430 -4.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 0.7170 -4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 1.3890 -5.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 2.4510 -6.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 2.8700 -6.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 2.1900 -5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 1.1260 -4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 3.9230 -6.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 4.8700 -6.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 5.9320 -6.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 7.1660 -6.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 8.2460 -7.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 8.1010 -8.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 6.8800 -8.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 5.8020 -7.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -3.7940 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -3.9540 0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -3.4830 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -4.1580 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -2.3750 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -5.3030 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -4.6980 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -4.3460 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -2.9950 -3.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -1.7630 -2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -0.5280 -4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 1.0980 -6.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 2.9560 -7.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 2.4890 -4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 0.6400 -3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 7.2860 -6.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 9.1990 -7.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 8.9410 -8.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 6.7690 -8.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 4.8550 -7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -3.2210 -1.2940 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7950 -2.4490 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 -4.3790 -1.9750 O 0 5 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 43 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 3 43 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M CHG 1 45 -1 M END