IFLAB-ZINC04353848 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.5000 2.0580 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 0.5600 -1.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3260 0.1620 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 0.3090 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -1.1840 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -1.8800 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.1510 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -2.4250 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -3.8840 -1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -4.3020 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -5.6460 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -6.6030 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -6.2170 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -4.8680 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -4.4670 -0.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -5.3760 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 -4.9890 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -6.8040 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -7.1830 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3120 -7.8300 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 -8.5830 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9180 -9.5570 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 -9.7930 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -9.0360 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -8.0620 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 -9.3270 2.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 -8.5310 3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -10.7290 1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8030 -11.4820 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -3.3510 -2.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 2.5160 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 2.2410 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 2.5690 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 0.7890 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 0.7600 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -1.3320 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -1.6420 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.5050 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -2.9610 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -0.0600 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 0.2340 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -2.2720 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -1.9860 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -5.9700 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -7.6480 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -8.2250 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 -8.4170 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4160 -10.1140 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -7.4710 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -7.4760 3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 -8.6620 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6380 -8.8720 4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1310 -12.0960 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4230 -10.8310 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4710 -12.1580 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -3.7860 -3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -1.6190 -1.2150 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1620 -2.0020 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 57 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 57 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 30 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END