PUBCHEM-ZINC02850714 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0260 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -2.6710 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5320 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1060 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.6160 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -3.8310 0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -1.8970 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 -2.5800 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4980 -1.5570 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2310 -0.3740 0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7860 -1.9570 0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8610 -0.9620 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1950 -1.6650 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2420 -2.8720 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3300 -0.9490 0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5780 -1.6920 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7360 -0.7290 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2790 -0.2800 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3420 0.6040 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8620 1.0390 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3190 0.5900 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2590 -0.2980 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8760 1.0560 2.6620 N 0 3 0 0 0 0 0 0 0 0 0 0 -18.8120 1.8350 2.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3980 0.6600 3.7100 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -3.7500 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0460 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1850 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -0.9280 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4830 -3.1990 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4650 -3.2090 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0000 -2.9030 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7710 -0.3440 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7880 -0.3330 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6350 -2.3140 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6180 -2.3250 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8730 -0.6190 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7660 0.9550 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6920 1.7300 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8380 -0.6520 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END