PUBCHEM-ZINC04544063 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 52 0 0 1 0 0 0 0 0999 V2000 -1.7610 -0.9100 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -1.0510 0.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0910 -2.0090 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 0.0830 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 1.0710 0.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -0.1030 -1.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 0.8230 -2.4640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1940 1.8290 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 0.7970 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 0.4410 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.6450 -4.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -1.0120 1.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -2.1390 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -3.2800 2.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -1.8740 4.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5080 -2.8590 4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -1.0330 4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -0.8640 5.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -0.0350 5.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 0.2710 7.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.1130 7.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 0.6300 7.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 -0.5280 7.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2480 1.6910 7.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -1.3660 4.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.0940 4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 0.7420 3.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 0.1760 5.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 0.0480 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -0.9550 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -1.7080 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -0.9130 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -0.2020 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 1.4990 -2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 1.0680 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.0910 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -1.5150 3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.0400 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -0.3650 6.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -1.8460 6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -0.5680 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 0.9080 5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 0.8220 7.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -0.6550 7.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 2.0980 6.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2390 2.2770 8.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2280 1.2200 7.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 2.3540 6.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -2.0040 5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -0.2830 6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 1.2540 5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -0.2340 5.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 1.2430 -4.7920 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 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 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 33 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 53 1 0 0 0 0 12 13 1 0 0 0 0 12 36 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 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 46 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 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 53 -1 M END