PUBCHEM-ZINC03679322 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 1.9820 0.7700 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 2.1220 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.0580 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 1.2330 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 2.6250 3.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 3.0580 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 4.4380 4.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 5.0070 5.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 4.2030 6.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 2.8150 6.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 2.2470 5.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 4.7640 7.8900 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3110 4.0720 8.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 6.1160 8.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 7.2680 8.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 8.3140 8.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 9.6830 9.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 10.4480 9.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 9.8700 10.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 8.5130 10.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 7.7600 9.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 6.4240 9.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 5.7830 9.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 7.2910 7.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 6.0890 6.7330 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5450 6.1920 5.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 5.8840 6.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8340 4.6580 5.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 1.3140 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -0.1370 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 0.5340 3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 1.2510 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 2.5930 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 2.8540 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 0.0090 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.6120 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 0.8950 3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 0.6460 4.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 5.0820 4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 6.0860 5.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 2.1510 7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 1.1710 5.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 10.1460 8.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 11.5040 10.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 10.4810 10.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 8.0640 10.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 7.2700 8.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1890 8.2230 7.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 1.6650 2.0050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8660 2.5120 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 4.8040 7.4570 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0280 4.0430 6.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3770 4.6760 8.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3720 6.8940 6.0680 O 0 5 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 49 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 49 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 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 51 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M CHG 1 54 -1 M END