PUBCHEM-ZINC05647587 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3010 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -0.4290 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 0.6540 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 1.7510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 3.1530 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 3.6120 -1.4340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0490 3.4300 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 5.1080 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 5.5610 -2.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 2.8830 -1.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 0.6570 -0.0340 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -1.8410 -0.0240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8960 -2.7390 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -2.1050 -0.0370 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9020 1.9180 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 3.7690 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 3.2520 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 5.6550 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 5.2790 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 6.5030 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 2.9990 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END