PUBCHEM-ZINC04529930 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 63 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2440 -0.6510 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.1220 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 1.4370 -0.0120 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1800 2.0730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 2.2150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 2.4940 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 3.3070 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 3.5860 -2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 4.3990 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 4.6780 -4.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6660 5.4570 -4.3770 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8220 4.8200 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0190 5.5140 -4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 6.8980 -4.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 7.5440 -4.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5960 6.7720 -4.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6800 9.0200 -4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5960 9.5710 -4.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 9.7550 -4.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 11.2180 -4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1450 11.8040 -4.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7920 11.4680 -5.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.1270 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -2.6780 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -2.8620 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -4.3250 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -4.9110 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -4.5610 -1.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9130 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.5700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -0.3630 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.1530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 3.1600 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 1.6520 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 1.5500 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 3.0580 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 4.2520 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 2.7440 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 2.6420 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 4.1500 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 5.3440 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 3.8360 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5860 3.7340 -4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 5.2420 -4.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8340 3.7400 -4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 4.9810 -4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9200 7.4640 -4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 7.2560 -4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6740 9.3160 -4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1910 11.5590 -5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2070 11.5490 -3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0890 12.8890 -4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7140 11.3940 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 11.8080 -5.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -2.4220 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -4.6560 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -4.6650 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -5.9960 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -4.5100 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -4.9000 -1.2860 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 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 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M CHG 1 5 1 M CHG 1 13 1 M END