PUBCHEM-ZINC05391045 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.3770 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0040 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.6780 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 0.0290 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 1.4200 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0880 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 2.1690 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.7120 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 2.6420 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 2.2240 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 0.8770 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -0.0560 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 0.3560 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -0.8520 -0.0260 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 3.5300 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 4.4960 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 4.0880 1.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 5.8130 0.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 6.6980 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 6.4780 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 7.3540 3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 8.4480 3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 8.6690 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 7.8000 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 9.8400 1.6280 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2910 10.6090 2.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 10.0360 0.4760 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9570 1.9030 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.5580 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -1.7580 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1680 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 3.6960 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 2.9530 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 0.5530 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -1.1090 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 3.7910 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 3.5810 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 6.1470 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 5.6240 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 7.1840 4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 9.1300 4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 7.9760 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END