PUBCHEM-ZINC05444269 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 60 0 0 1 0 0 0 0 0999 V2000 1.5930 -0.0480 -2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -1.1460 -2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -1.4340 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.5850 -2.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7250 -3.4860 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -2.9080 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -3.3500 -2.6650 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4750 -2.6180 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -2.3120 -3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -3.1480 -5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -4.7390 -2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -5.7920 -2.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -4.6620 -1.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 -3.7480 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -5.7820 -0.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1520 -6.3720 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9910 -5.2790 0.3200 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3890 -6.2040 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 -4.4370 1.5550 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3720 -4.5120 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 -2.9200 1.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2680 -2.3390 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 -2.3540 0.4590 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3110 -1.4430 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0370 -3.3200 -0.7130 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2440 -3.2400 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1500 -4.7080 -0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5500 -2.7510 -1.6450 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.3540 -3.6740 -3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6730 -2.2160 1.3330 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2500 -2.7530 0.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -3.3870 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -4.8260 1.9570 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5460 -6.7250 -1.7970 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8390 -6.9250 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9490 -8.0790 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7070 -6.1620 -2.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 -5.6820 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 0.1430 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.8860 -2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.3330 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -0.8390 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -2.0560 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -1.6860 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -0.5250 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -3.6730 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -2.0170 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -1.3040 -4.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -2.4190 -4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -2.1920 -4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -3.9520 -5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -3.1710 -6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3190 -3.6530 -3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6950 -4.7020 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9810 -3.2130 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 -8.7410 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 -8.5640 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7860 -7.9890 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -3.3510 -4.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 59 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 9 59 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 10 59 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 31 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 30 -1 M CHG 1 33 -1 M END