PUBCHEM-ZINC06615310 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -0.2700 1.0960 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.3840 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.0120 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -1.1430 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -0.5630 -1.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.0200 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 0.6420 -0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -0.3280 -2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 0.0840 -2.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6910 0.1440 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.4130 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 2.6120 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 3.9260 -3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 4.0310 -4.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 5.0210 -2.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 5.9400 -3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 4.9520 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -1.0160 -3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -1.7830 -4.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 -0.9940 -3.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -1.9650 -4.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 -1.6630 -4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -2.4900 -4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3120 -2.2040 -4.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7550 -1.0830 -4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 -0.2530 -5.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 -0.5370 -5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2280 -0.8050 -5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7390 -1.4080 -6.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1540 -2.6000 -6.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 1.6750 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 1.5490 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 1.2230 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -1.0210 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -2.0420 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -0.4690 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -0.7440 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -2.2010 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -1.0810 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -0.8930 -3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 1.5750 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 1.3620 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 2.5390 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 2.6430 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 -2.9690 -4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -1.9140 -5.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6310 -3.3670 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0330 -2.8700 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1480 0.6070 -6.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7390 0.1200 -5.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4120 0.2760 -5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7850 -1.2210 -4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7070 -0.6320 -7.3330 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 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 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 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 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 53 -1 M END