PUBCHEM-ZINC02972607 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 -0.4420 0.5250 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 0.1310 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 1.3920 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -0.4990 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -0.8850 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -1.3300 -1.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -1.3200 -2.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -2.2270 -3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -3.6170 -3.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6480 -3.9070 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -4.6910 -3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -4.4760 -5.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -5.5160 -6.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -6.7480 -5.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -7.0000 -4.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -5.9730 -3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -4.5390 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -4.1780 -2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -3.9000 -3.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -2.9100 -4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -3.3020 -4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -4.5200 -3.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -4.7680 -3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -5.3780 -3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -5.7650 -4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 -5.5440 -5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -4.9320 -5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -4.7820 -6.1960 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 0.9720 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -0.3490 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 1.2520 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 2.1650 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 1.1850 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 1.8130 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -1.4370 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -0.7300 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.1750 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -0.9770 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -1.6930 -4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -2.3650 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -3.5080 -5.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -5.3670 -7.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -7.5900 -5.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -6.2300 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -4.5960 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -5.4900 -2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -5.0140 -1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -3.2940 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -2.7670 -5.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -1.9350 -3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -4.2530 -5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -2.5140 -4.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -4.4560 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1260 -5.5440 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3260 -6.2380 -5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 -5.8490 -6.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -3.4760 -3.0820 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2850 -2.5700 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 57 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END