NCID-ZINC05496372 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 81 0 0 1 0 0 0 0 0999 V2000 -0.3770 1.5210 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 0.0230 0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0320 -0.5420 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -0.3630 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -0.6670 1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -0.3210 2.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.6220 3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.2720 4.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.1080 4.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.1900 6.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.2190 7.3370 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0680 0.0460 7.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 1.6860 7.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 2.6770 6.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 2.9080 6.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 3.8100 5.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 4.4910 4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 4.2720 4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 3.3700 5.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -0.6790 8.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -1.1730 8.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -0.8400 9.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.6660 10.6770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7100 -2.4810 10.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.8660 11.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -0.3830 11.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 0.3880 12.9120 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 0.8200 12.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -2.2660 11.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -1.7090 11.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -3.4560 11.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -3.8820 12.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -3.9360 11.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -0.3810 -1.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.5390 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -0.3390 -2.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -0.9950 -3.4860 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7410 -0.3570 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.4780 -3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -3.0510 -4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -2.6170 -4.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -3.1360 -5.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -4.0920 -6.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -4.5420 -6.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -4.0230 -5.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -4.5710 -7.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -5.2380 -8.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 2.0970 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.8150 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 1.8190 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -0.0780 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.6890 3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -0.0330 3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -0.4280 6.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 1.9500 8.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 1.8070 7.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 2.3780 6.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 3.9790 5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 5.1920 3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 4.8040 4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 3.2080 6.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -0.3990 9.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.0070 12.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -1.5000 12.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -1.2250 11.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 0.3610 10.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 1.3110 12.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.0800 11.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 1.5080 11.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.5500 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -2.6130 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -3.0670 -3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -1.8830 -4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 -2.8020 -6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -5.2960 -7.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -4.3940 -5.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.7900 -4.7810 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5920 -1.1930 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 0.2110 -4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -1.2060 -4.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 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 51 1 0 0 0 0 7 8 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 58 1 0 0 0 0 17 18 2 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 60 1 0 0 0 0 19 61 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 62 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 35 1 0 0 0 0 34 70 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 39 1 0 0 0 0 37 77 1 0 0 0 0 39 40 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 40 41 1 0 0 0 0 40 45 2 0 0 0 0 41 42 2 0 0 0 0 41 73 1 0 0 0 0 42 43 1 0 0 0 0 42 74 1 0 0 0 0 43 44 2 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 44 75 1 0 0 0 0 45 76 1 0 0 0 0 46 47 1 0 0 0 0 77 78 1 0 0 0 0 77 79 1 0 0 0 0 77 80 1 0 0 0 0 M CHG 1 77 1 M END