NCID-ZINC05086502 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -0.5280 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -0.1490 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 0.9990 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 1.3500 1.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 0.5980 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -0.5670 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -0.9070 0.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -1.3660 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 -0.9490 -0.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 0.1560 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 0.9100 0.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 0.5330 0.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -2.5120 -1.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -0.5200 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -0.2920 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -0.8000 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -1.5460 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -1.7730 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -1.2570 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -1.4920 -2.2930 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0450 -2.1380 -3.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -1.0400 -2.2210 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2240 -2.0930 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -2.7410 -1.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 -1.8730 0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4580 -2.4160 0.5930 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4320 -3.3830 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0260 -2.5910 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 -3.6480 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7730 -3.8190 4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7240 -3.1630 4.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3310 -1.4670 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8670 -0.4420 -0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8420 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8260 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8160 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -0.1040 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.6130 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 1.6070 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -0.0040 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 1.3350 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.8020 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -3.0280 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 0.2840 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 -0.6230 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -2.3480 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 -1.3560 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 -1.6420 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0660 -2.9100 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2700 -4.5960 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -3.3280 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2140 -4.7010 4.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6250 -1.7600 -0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1450 -1.1210 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6080 -4.7760 5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 2 0 0 0 0 32 54 1 0 0 0 0 34 35 2 0 0 0 0 34 55 1 0 0 0 0 54 57 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END