NCID-ZINC05495968 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 45 0 0 1 0 0 0 0 0999 V2000 -0.4580 0.8950 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.4580 0.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5860 -0.3990 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -1.0500 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.1100 1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -0.3410 1.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -0.7690 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 0.2800 2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 1.2250 1.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 0.0540 3.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 0.9310 3.5350 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0610 1.9570 3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 0.8620 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9010 -0.4760 2.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 -1.0360 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 0.4780 4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 -0.4920 5.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 1.2480 5.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 0.9960 6.6230 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0630 0.5800 7.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9560 0.0490 6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5460 -1.3920 6.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6990 -2.3970 6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8440 -1.9290 5.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3510 2.3320 7.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4110 3.2620 6.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 1.6370 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 1.2700 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 0.8400 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 0.5210 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -0.8750 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -1.7310 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 -0.7430 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 1.2470 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 1.4570 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 2.0960 4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5870 0.4290 5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5880 0.0420 7.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8270 -1.7350 6.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -1.4400 5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 -3.5990 6.2500 O 0 5 0 0 0 0 0 0 0 0 0 0 9.6590 2.3430 8.3980 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0810 -1.3900 -0.0830 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7320 -2.3390 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -1.1030 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -1.4810 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 43 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 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 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 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 M CHG 1 41 -1 M CHG 1 42 -1 M CHG 1 43 1 M END