PUBCHEM-ZINC03872443 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 71 0 0 1 0 0 0 0 0999 V2000 -0.1340 3.0860 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 1.6170 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 1.5280 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 0.8200 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 0.6750 3.9720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1420 1.6460 4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 0.0050 4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -1.2320 5.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -0.1660 3.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 0.2750 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 1.4510 3.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -0.7610 3.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 -0.5350 3.6460 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8530 0.3070 4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 -0.1560 2.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3280 0.1390 2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 -1.2630 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 -0.6990 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 1.2180 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 0.9710 1.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 2.3140 0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -1.7780 4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -2.9130 4.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 -1.5000 5.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 -2.5030 5.8220 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1070 -3.4630 5.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 -2.6390 7.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -3.1350 7.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 -3.3410 8.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -3.1390 9.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -3.7830 8.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -3.9430 9.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -3.9560 8.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5930 -1.9890 5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8730 -0.8300 5.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5450 -2.9020 6.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9680 -2.5780 6.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.1530 -2.0610 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8150 -3.8380 6.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3210 -1.6080 7.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4720 -1.2660 7.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 3.5710 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 3.6350 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 3.1970 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.1700 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 1.9630 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 0.4860 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 2.0630 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -0.1840 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 1.2950 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -1.1490 4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -1.7150 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -1.6250 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 -2.1180 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 -1.4670 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 -0.4600 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 1.5490 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 2.8800 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 2.5660 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 -0.5460 5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6560 -1.6720 7.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -3.3280 7.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -4.0890 6.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -2.4110 6.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2600 -3.8190 6.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6610 -4.3500 7.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8810 -3.6030 6.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5580 -4.5400 5.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4750 -1.1600 7.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 0.7650 5.3440 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0690 0.5010 -0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 45 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 49 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 70 1 0 0 0 0 9 10 1 0 0 0 0 9 51 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 18 71 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 71 2 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 34 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 41 2 0 0 0 0 40 69 1 0 0 0 0 M CHG 1 70 -1 M END