PUBCHEM-ZINC03645319 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 -0.0770 1.7360 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 0.4220 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -0.5840 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 2.6640 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 3.9410 0.7260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5520 3.7570 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 4.5280 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 5.5370 0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 3.8200 1.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 2.9780 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 4.0680 2.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1260 4.3990 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 5.0770 3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 6.5200 2.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 7.5070 4.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 7.2370 5.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 8.7740 3.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 9.4890 4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 9.0280 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 2.7240 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 1.8460 2.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 2.2300 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 1.5180 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 0.6280 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -0.0110 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -0.8510 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -0.2240 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 2.1010 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 2.9170 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 4.8230 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 5.0150 3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 6.7560 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 6.6690 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -1.8370 -1.1640 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3940 -2.5660 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -2.2140 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -1.6970 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 2.6670 2.8190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1840 4.9510 0.0140 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0330 5.7740 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 4.5940 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 5.3100 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 M CHG 1 34 1 M CHG 1 38 -1 M CHG 1 39 1 M END