PUBCHEM-ZINC05260503 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 -1.9620 1.0110 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -0.1420 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.1640 -1.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -1.1500 -0.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -2.2190 -0.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8230 -1.8040 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -3.2830 -1.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4600 -2.8190 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -3.9120 -0.8940 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0120 -4.7080 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -4.4900 0.5230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0900 -5.2800 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -3.4560 1.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -2.8620 1.2830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5210 -3.6300 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.8630 2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -2.3830 3.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4030 -3.3610 3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -1.4280 4.5950 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5480 -1.8450 5.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.1650 4.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -0.2220 4.9500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5210 -0.6240 5.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -1.1290 3.9790 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2420 -1.2100 4.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -2.5200 3.9790 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6460 -2.9630 4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -3.3530 3.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -0.5610 2.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -0.7640 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 -1.4880 2.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.0890 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 1.0920 4.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 1.9680 5.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 3.2600 5.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 4.1490 6.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 3.7510 7.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 2.4640 7.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 1.5730 6.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 4.7050 8.8340 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7130 5.8400 8.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 4.3560 9.6660 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0670 -1.2410 4.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -0.4390 5.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -5.0680 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -5.7110 2.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -2.9140 -1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -4.2920 -1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 1.7640 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 0.6530 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 1.4500 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -1.1670 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -3.4830 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -0.0390 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 0.8380 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -0.7500 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 0.1320 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 3.5720 5.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 5.1560 6.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 2.1550 8.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.5680 6.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.7460 3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -2.2140 4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -0.2780 4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -4.2630 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -5.7940 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -6.1010 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -3.2430 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -4.9990 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 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 21 1 0 0 0 0 19 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 38 2 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 60 1 0 0 0 0 39 61 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 43 44 1 0 0 0 0 43 62 1 0 0 0 0 43 63 1 0 0 0 0 44 64 1 0 0 0 0 45 46 1 0 0 0 0 45 65 1 0 0 0 0 45 66 1 0 0 0 0 46 67 1 0 0 0 0 47 68 1 0 0 0 0 48 69 1 0 0 0 0 M CHG 1 40 1 M CHG 1 42 -1 M END