PUBCHEM-ZINC06138944 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 0.1520 1.4640 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -0.0190 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.7980 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -2.2630 -1.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2910 -2.3160 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -2.9930 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -3.6040 -3.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -2.9670 -1.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -3.6760 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -3.4900 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -4.3870 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4060 -4.2160 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2280 -3.1480 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -2.2520 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 -2.4250 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -3.0320 -1.8120 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -4.6600 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -5.3860 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -4.8570 -1.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -6.6230 -0.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -7.3270 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 -6.6740 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 -7.3720 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -8.7190 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -9.3710 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -8.6780 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -9.3760 -1.2830 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6530 -10.5530 -1.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -8.7720 -1.0960 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1590 1.8440 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 1.5850 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 2.0190 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -0.1400 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -0.4000 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.7380 -2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -0.3700 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -2.4780 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -4.7380 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -3.2770 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5700 -5.2220 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 -4.9170 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1600 -3.0150 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 -1.4170 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -1.7260 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -5.2400 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -4.5350 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -7.0260 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -5.6230 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -6.8650 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 -9.2620 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -10.4230 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 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 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 47 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 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END