PUBCHEM-ZINC05500781 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1400 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -2.7440 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -4.2060 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -5.0220 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -6.2910 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -6.2610 -0.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -5.0110 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -4.5600 -2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -5.4260 -3.4620 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3830 -4.9760 -4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -5.3120 -5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -6.7310 -5.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -6.8070 -3.1670 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3160 -4.5970 2.5130 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3900 -3.4140 2.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -5.4300 3.3990 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -2.4640 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.4730 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -2.4200 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -2.4100 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -7.1800 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -3.5060 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -5.4790 -5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -3.8980 -4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -4.8990 -6.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -4.8810 -4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -7.0170 -6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 13 1 M CHG 1 17 -1 M CHG 1 18 1 M CHG 1 20 -1 M END