PUBCHEM-ZINC01211453 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 3.9150 -0.3060 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 -1.5630 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -2.3700 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -3.5260 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -3.8810 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -3.0710 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -1.9030 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -3.4450 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -2.6900 -2.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -4.6230 -2.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -4.9240 -3.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -6.0030 -3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -6.2940 -5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -5.3320 -6.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -5.6090 -7.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -6.8390 -7.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -7.7980 -6.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -7.5340 -5.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -7.1300 -9.1130 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8920 -6.2880 -9.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -8.2120 -9.4140 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1700 -6.9390 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -7.1300 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -8.0120 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -8.6690 -0.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -8.5190 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -7.6520 -2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 -0.5340 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 0.4340 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 0.0910 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -2.0970 3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -4.1510 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -4.7830 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -1.2700 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -4.3720 -5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -4.8650 -8.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -8.7560 -7.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -8.2850 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -6.5960 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -8.1660 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -9.0780 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -7.5300 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END