NCID-ZINC01645841 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.1720 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.1330 3.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4680 -1.9280 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 0.0180 4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -0.5060 5.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -0.6350 6.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -1.1180 7.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -1.4560 7.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -1.2990 6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.8410 5.1500 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6970 -1.9330 8.4030 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2760 -2.0520 5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 0.4620 3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 0.7740 4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -0.3620 6.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -1.2280 8.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -1.5580 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -0.7440 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.1660 -2.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -1.6520 4.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -0.9340 4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.5000 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 6 7 1 0 0 0 0 6 23 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 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 19 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 17 1 M CHG 1 18 -1 M END