PUBCHEM-ZINC05422161 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 1.5240 2.7780 2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 1.4600 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.3870 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 0.7930 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.6680 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -1.4840 2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -2.8860 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -3.7020 3.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0110 -3.7030 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -5.1400 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -3.1060 3.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -3.3060 4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -4.1280 5.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 -4.3230 6.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0950 -3.7010 6.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -2.8820 5.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 -2.6870 4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 -1.8150 3.4170 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1540 -2.1200 2.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -0.7920 3.6930 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3230 2.5710 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 3.3440 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 3.3600 2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 1.6670 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 0.8780 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.2610 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 2.4490 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 0.8270 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 1.3700 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -0.2420 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -0.6340 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -1.1350 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -0.9920 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -1.5590 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -3.3790 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -2.8110 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -5.1400 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -5.7220 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -5.5840 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -2.5730 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -4.6140 5.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -4.9620 7.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -3.8540 7.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 -2.3970 5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 0.6970 2.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 45 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END