PUBCHEM-ZINC03873820 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 -4.1610 3.4070 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 2.2420 0.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7790 2.1920 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 2.5940 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 3.0590 1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 3.3540 3.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 3.1970 4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 2.7140 3.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 2.4310 2.6640 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5930 3.4700 5.4330 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.3580 0.8610 -0.3390 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2610 1.0330 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -0.1260 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 0.1600 -1.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4230 -0.1090 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -1.1200 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -1.1040 -2.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -2.2770 -1.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 -3.6440 -1.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7790 -3.6710 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -4.1370 -3.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9770 -4.2020 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -3.3020 -4.3710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7730 -2.4060 -4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 -4.3260 -5.4570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0210 -4.4720 -5.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -5.6010 -4.8520 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1670 -6.4760 -5.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -5.4840 -3.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 -5.8630 -5.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -5.8530 -4.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -6.1000 -4.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7880 -6.3860 -5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1310 -6.6150 -5.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8880 -6.4160 -6.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 -6.1420 -6.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -6.1460 -7.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -3.9330 -6.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -4.7480 -7.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7640 -2.9020 -4.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -2.1650 -3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -4.6120 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -4.2820 -0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 4.3640 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 3.3120 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 3.4780 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 3.1870 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 3.7200 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 2.5400 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 2.0690 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -0.3330 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 0.2560 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -1.0810 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.2670 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -5.6390 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1590 -6.0860 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1310 -6.6250 -7.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2950 -6.7750 -6.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -5.5310 -0.3540 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7620 0.9580 -2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 1.7820 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 1.2700 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 48 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 49 1 0 0 0 0 9 50 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 60 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 54 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 36 1 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 36 37 2 0 0 0 0 38 39 1 0 0 0 0 40 41 1 0 0 0 0 42 43 2 0 0 0 0 42 59 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 M CHG 1 9 1 M CHG 1 10 -1 M CHG 1 59 -1 M END