PUBCHEM-ZINC06521053 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7220 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.1290 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7210 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9980 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6720 -1.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6490 -2.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.5660 2.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -1.4640 3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.3840 2.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.9620 2.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5150 -4.5750 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -4.4790 2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -4.9150 4.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2490 -4.1320 4.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -5.1140 4.8780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0860 -6.0900 4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -4.0570 4.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -4.9600 6.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -5.2620 6.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -6.1700 4.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -6.2020 4.1120 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6440 -6.2340 3.7750 N 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -3.6180 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.1340 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -1.4840 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.3290 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -3.6820 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -5.6440 6.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -3.9350 6.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -5.1840 7.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 23 1 M CHG 1 24 -1 M END