PUBCHEM-ZINC05159544 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.7950 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 2.2560 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 2.4880 -3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 2.2560 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.8230 -2.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6970 2.9880 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 4.5130 -4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 5.0200 -5.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 7.0350 -7.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 8.4020 -6.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 9.5410 -6.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 9.4130 -4.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 8.3170 -5.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 6.9070 -4.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5530 8.5660 -5.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 8.6940 -7.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2300 9.1810 -6.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 10.9840 -5.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 2.4980 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 1.5530 -0.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 2.4340 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 2.6990 -5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 2.5530 -4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 4.8030 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 4.9480 -4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 4.7310 -6.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 4.5850 -5.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 6.3890 -7.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 7.1440 -7.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 9.2970 -7.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 10.4690 -7.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 10.3200 -4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 9.0740 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 6.9210 -3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 6.2400 -4.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 7.6200 -5.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8340 9.1630 -4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7300 9.3890 -8.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 7.7700 -7.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8720 9.5770 -6.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4620 8.1290 -7.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4010 9.7390 -7.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 11.7410 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 11.1620 -6.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 11.0380 -4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 2.3300 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 1.8120 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 4.0690 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.6720 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 6.4840 -5.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 9.6520 -5.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8230 9.3160 -6.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 3.8820 -1.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 4.0820 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 55 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 57 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 57 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 57 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 56 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 58 1 0 0 0 0 53 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 7 1 M CHG 1 22 -1 M END