PUBCHEM-ZINC05964691 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.7460 -0.0120 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7170 -2.1930 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -2.1740 0.7090 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5560 -2.0490 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.8860 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4300 -1.1460 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -0.5000 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -1.5270 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -2.9140 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -3.2340 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -4.6580 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -5.5170 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -6.8490 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -7.3340 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -6.5080 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -5.1500 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -4.0630 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -4.1070 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -1.5300 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 -0.7950 2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 -2.3500 1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -2.2990 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7980 -1.2570 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4150 -3.6720 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -1.1350 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 -0.1460 -1.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 -1.8850 -1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -1.4480 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 -2.0840 -4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9920 -1.8740 -3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -0.2450 -0.0500 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -2.5950 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -2.7560 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -0.5260 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 0.5000 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -5.1490 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -7.5410 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -8.3920 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -6.8980 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -2.0260 3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2390 -1.5310 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 -1.2190 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -0.2790 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6680 -4.4150 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1950 -3.6340 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8560 -3.9460 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 -0.3620 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -3.1700 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 -1.7560 -5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -1.7800 -3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 -1.4210 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 -1.5460 -4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 -2.9600 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 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 18 19 1 0 0 0 0 19 20 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 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M CHG 1 3 1 M CHG 1 33 -1 M END