PUBCHEM-ZINC00742073 MOE2007 3D CORINA 3.40 0006 02.08.2006 75 78 0 0 1 0 0 0 0 0999 V2000 1.8220 1.2390 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -0.2820 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.6390 0.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0880 -0.1530 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.1560 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -0.1820 1.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 0.0850 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -0.0550 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 0.5450 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 0.7070 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 1.1400 4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 1.4130 4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 1.2560 3.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 0.8290 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 0.6760 0.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -0.3040 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 -0.5020 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 0.7880 -1.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 1.7690 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 1.9660 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2720 0.6350 -2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 0.1270 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 -0.0230 -4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3190 0.3310 -5.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1120 0.8380 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5950 0.9860 -2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3760 1.4790 -1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7230 1.8180 -2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 1.3020 5.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 2.2960 6.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 2.9990 6.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 2.5330 7.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 1.7280 8.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 1.9540 9.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 2.9760 10.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 3.7760 9.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 3.5650 8.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 4.8660 10.8620 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0040 5.1170 10.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 5.5130 11.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6400 3.2170 11.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 1.4940 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 1.6520 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 1.6570 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -0.7000 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -0.6940 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -2.6420 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -2.4100 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -2.4960 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -0.0700 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 0.4950 3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 1.7500 5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 1.4700 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 -1.2540 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 0.0600 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 -0.8920 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -1.2070 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 1.4050 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 2.7190 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 2.3560 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 2.6720 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 -0.1500 -3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3920 -0.4180 -5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7250 0.2120 -6.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1360 1.1140 -4.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2400 0.9310 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2340 2.1980 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7220 2.5840 -2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 0.6990 6.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 0.9300 7.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.3320 9.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 4.1940 8.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 4.0150 11.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 3.5050 12.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 2.3040 12.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 50 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 24 25 2 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 29 69 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 70 1 0 0 0 0 34 35 1 0 0 0 0 34 71 1 0 0 0 0 35 36 2 0 0 0 0 35 41 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 72 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 M CHG 1 38 1 M CHG 1 40 -1 M END