PUBCHEM-ZINC04035906 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -0.1370 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -0.5830 -2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.3820 -3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -1.7360 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -1.2940 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -1.9490 -4.9630 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -2.2370 -5.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -1.0330 -5.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 -3.3960 -4.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -4.6640 -4.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -5.4660 -3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -5.6060 -3.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 -4.2980 -2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -3.4480 -4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -6.4670 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -7.0590 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -7.9120 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -8.1780 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -7.5900 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -6.7380 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0700 -7.8610 0.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 -6.6300 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 -6.9800 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9460 -7.7170 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2330 -8.9690 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9180 -8.5620 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -9.0920 1.3440 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8150 -9.6070 1.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -9.3280 1.8130 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 0.4880 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.3060 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -2.3600 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -1.5730 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -4.4590 -5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -5.2320 -5.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -4.9450 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -6.4540 -3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 -3.7930 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -4.4390 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5700 -3.9010 -4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -2.4390 -3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -6.8530 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -8.3700 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 -6.2830 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 -5.9790 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -6.1180 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 -6.0650 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8110 -7.6200 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1890 -7.0630 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8620 -8.0070 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8680 -9.4760 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -9.6410 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 -9.4520 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1270 -7.9010 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 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 56 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 M CHG 1 32 1 M CHG 1 34 -1 M END