NCID-ZINC05521038 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1400 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1460 -2.4580 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -2.6930 1.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5820 -1.9850 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -3.9140 1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -3.6160 0.4470 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7180 -3.0490 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -2.7600 -0.6720 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9870 -1.9800 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -3.5960 -1.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -3.6960 -2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 -3.1050 -2.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -4.5460 -4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -4.8870 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -5.1340 -0.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0760 -6.3200 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -7.0700 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -6.1990 -0.7000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 -6.7700 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 -7.8620 -1.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 -5.9690 -0.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -2.9870 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -3.3860 3.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -3.6840 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -3.6050 3.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -4.0850 5.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -4.3790 5.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -4.7610 7.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -4.5080 7.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -4.2300 7.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -4.1710 6.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -5.4380 7.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -5.5780 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 -4.5050 -4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -4.1710 -4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -8.0570 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 -5.0980 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4040 -6.2650 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -3.7890 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -2.0900 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -4.3120 5.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -4.5410 9.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -4.0350 8.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -3.2960 5.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -5.0690 5.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -4.6960 8.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -6.1100 8.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -6.0100 6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 33 34 2 0 0 0 0 33 49 1 0 0 0 0 34 35 1 0 0 0 0 34 50 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 36 53 1 0 0 0 0 36 54 1 0 0 0 0 36 55 1 0 0 0 0 M END