NCID-ZINC06002217 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 70 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0230 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0910 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.4510 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 2.1100 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -0.8430 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -2.5830 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -3.4800 -0.0600 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2960 -3.2110 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 -4.9200 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -5.7180 0.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -5.3220 -1.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -6.7230 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -6.9080 -2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -5.9670 -3.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 -3.2990 1.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 -3.5570 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3050 -3.9380 0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5060 -3.3710 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9760 -3.7290 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 -3.5410 3.5710 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2900 -4.1230 4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 -4.0100 3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0560 -3.2060 3.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.7730 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -1.0260 -1.4290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9490 -1.5250 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -1.8980 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -1.4940 -1.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 0.2520 -2.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 1.0170 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 0.3650 -3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -0.5910 -4.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 1.6800 -4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 1.5380 -5.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7630 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 3.8400 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 2.3160 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -2.7910 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -2.7820 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -4.6840 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -7.3620 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -6.9920 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -2.9950 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -2.3320 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 -4.0210 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -4.7680 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3900 -3.0800 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2140 -1.9770 4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.7260 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.1960 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 1.9640 -3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 2.4470 -3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 1.2540 -5.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 0.7700 -5.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 3.5610 -5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -8.1190 -2.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4650 -5.3200 3.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7590 -2.1190 3.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1880 -1.5580 3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -3.1240 -0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 2.8190 -6.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 2.7510 -7.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -3.6470 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3900 -5.5720 3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -8.1890 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 61 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 63 1 0 0 0 0 26 27 2 0 0 0 0 26 62 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 38 66 1 0 0 0 0 53 63 1 0 0 0 0 60 66 1 0 0 0 0 61 70 1 0 0 0 0 62 69 1 0 0 0 0 63 64 1 0 0 0 0 65 68 1 0 0 0 0 66 67 1 0 0 0 0 M END