NCID-ZINC05540990 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 80 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -1.2230 -0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.2170 1.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -0.7240 1.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6330 -1.7210 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -0.7900 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -1.8050 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -1.4150 3.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.3460 4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -3.6660 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -4.0550 4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -3.1240 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -4.6630 5.4250 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0350 -4.3200 6.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -5.8260 5.4600 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4920 0.1980 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 1.1820 -0.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -0.0700 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -0.5870 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.2950 -0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -1.0730 -2.4550 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3880 -2.0760 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -0.1260 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -0.6780 -4.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -1.5280 -5.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -2.0340 -6.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -1.6880 -7.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -0.8370 -6.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -0.3280 -5.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -2.2310 -8.4510 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0880 -2.9810 -9.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 -1.9260 -8.7670 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1810 -1.1040 -2.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 -1.9370 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -2.6610 -3.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4510 -1.9690 -2.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8150 -0.9540 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 -2.8160 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 -2.7470 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5300 -3.5940 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -3.5250 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 0.3410 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 0.1880 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -1.0820 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -0.3840 3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -2.0420 5.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -5.0870 4.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 -3.4270 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 -0.8570 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 0.5240 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.7100 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -0.0350 -3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 0.8540 -3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -1.7980 -5.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -2.6990 -7.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -0.5680 -6.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 0.3400 -4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 -0.5250 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 -2.4340 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4610 -3.8510 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8110 -3.1290 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 -1.7120 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 -3.2120 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2480 -4.6290 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5970 -3.9070 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3060 -2.4900 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2850 -4.3090 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1310 -2.5280 -3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3050 -4.3390 1.6390 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7370 -4.0450 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 -2.5540 -3.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 -3.4960 -4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 9 10 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 53 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 37 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 78 1 0 0 0 0 42 43 1 0 0 0 0 42 66 1 0 0 0 0 42 67 1 0 0 0 0 43 44 1 0 0 0 0 43 68 1 0 0 0 0 43 69 1 0 0 0 0 44 45 1 0 0 0 0 44 70 1 0 0 0 0 44 71 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 45 76 1 0 0 0 0 74 76 1 0 0 0 0 75 78 1 0 0 0 0 76 77 1 0 0 0 0 78 79 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 34 1 M CHG 1 36 -1 M END