PUBCHEM-ZINC04649191 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 68 0 0 0 0 0 0 0 0999 V2000 -0.3580 1.6620 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 0.2720 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -0.4070 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 0.3370 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 1.7320 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 2.4120 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 3.9180 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 4.5440 0.2800 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2600 -0.3320 0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 0.1530 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 1.1970 1.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 -0.8210 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 -0.2730 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 -1.1670 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 -0.4590 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5700 -1.3130 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4060 -2.6820 2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1680 -3.4010 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9070 -2.5530 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -1.8270 -0.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.7100 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -2.4220 -1.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -4.1540 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -5.1600 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -6.6260 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -7.5450 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -9.0180 -1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -9.4340 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -8.5390 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -7.0610 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 2.1650 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -0.2530 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 2.3320 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -1.2570 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 -1.7520 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7150 -1.0370 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0260 0.7220 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -0.1270 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1800 -1.3080 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4590 0.4930 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 -0.2180 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7840 -1.4380 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 -0.7970 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2960 -3.2920 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3300 -2.5640 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3070 -3.6450 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0420 -4.3510 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6830 -2.4400 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 -3.0960 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -2.2400 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -4.3250 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -4.2690 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -5.0220 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -4.9390 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -6.7280 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -7.3970 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -7.2780 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -9.6380 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -9.2000 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -9.3830 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -10.4770 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -8.8210 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -8.6980 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -6.4710 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -6.8750 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 4.4450 -0.3370 O 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 20 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 66 2 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 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 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 M CHG 1 8 -1 M END