PUBCHEM-ZINC03919416 MOE2007 3D CORINA 3.40 0006 02.08.2006 88 90 0 0 1 0 0 0 0 0999 V2000 -0.5710 3.7530 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 2.4220 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 1.5150 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 1.7480 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 0.7650 -0.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 2.3610 -1.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 1.8890 -1.5770 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1530 2.5680 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 0.4410 -2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 0.2960 -3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -0.1930 -4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -0.3110 -5.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 0.0590 -6.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 0.5430 -5.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 0.6630 -4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 2.1010 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 2.5840 0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 1.7580 0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 1.7200 1.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1250 1.1630 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 3.1130 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 3.5680 3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 4.0850 4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 4.3110 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 4.3420 4.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 4.7330 5.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 4.0170 3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 4.1120 4.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 3.5470 2.8880 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3490 3.1920 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1080 0.9090 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7270 0.8930 0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5080 0.2450 2.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7300 -0.5830 2.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.8340 -1.0860 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5810 -1.6460 3.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7100 -2.8720 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7970 -3.9140 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 -5.1520 4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 -4.7830 3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3930 -3.7720 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2420 -2.5280 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9540 0.3580 2.7380 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.9920 1.0470 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3150 -0.3530 2.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.3700 -0.9460 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4790 0.6510 2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7350 -0.1190 2.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.7610 0.5490 3.1960 N 0 3 0 0 0 0 0 0 0 0 0 0 -16.6980 1.1600 3.4120 N 0 5 0 0 0 0 0 0 0 0 0 0 -12.4930 -1.2390 1.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4300 -1.5190 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7520 1.1610 3.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8880 1.5890 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 4.2460 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 4.4370 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 3.6080 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 2.6120 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 1.3070 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 0.5550 -1.9320 H 0 0 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0 0 21 72 1 0 0 0 0 22 23 2 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 73 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 43 1 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 37 76 1 0 0 0 0 38 39 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 39 40 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 40 41 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 42 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 53 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 51 1 0 0 0 0 47 48 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 48 49 2 0 0 0 0 49 50 2 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 29 1 M CHG 1 49 1 M CHG 1 50 -1 M END