PUBCHEM-ZINC04533780 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -0.0210 1.9670 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 0.4490 0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5260 0.0200 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.0720 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -0.2010 2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -0.3840 1.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -0.8720 2.6630 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9180 -1.8380 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.0740 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -1.7220 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -1.1500 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 0.0540 3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 1.2930 3.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -0.0360 -0.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.2040 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 0.1200 -2.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.8760 -1.2680 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3200 -1.7330 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 0.0780 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 -0.6090 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -1.4730 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -2.1300 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2420 -1.9270 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1100 -1.0650 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9000 -0.4090 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -1.4790 -2.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -0.7600 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 0.4220 -3.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -1.5270 -4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 2.3120 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 2.3560 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 2.4140 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -0.3600 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 -0.1100 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -1.6700 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.2640 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 0.4970 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6390 0.9530 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -1.6380 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2720 -2.7970 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1850 -2.4360 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9510 -0.9020 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8100 0.2620 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -2.4840 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -2.3300 -4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 -1.9160 -5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -2.7270 1.0100 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1130 -0.5510 5.0110 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6190 -0.5940 -6.0750 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6740 -1.0090 -7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -0.2680 -5.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 0.2490 -6.0410 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 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M CHG 1 49 1 M END