PUBCHEM-ZINC04530677 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 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 0.0240 -0.7430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -1.0200 1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -1.7600 2.9850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -1.0340 4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -3.1560 2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -3.8590 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -5.2400 4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -5.9230 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -5.2270 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -3.8460 1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -7.4030 2.9540 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2920 -8.0170 4.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -8.0060 1.8960 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6960 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0040 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.6840 -3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.0660 -3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7660 -2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.0850 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.7990 -4.9010 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0270 -2.1850 -5.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -4.0170 -4.9080 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.6880 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.1510 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -0.0760 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -1.6120 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -0.8680 4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -1.6200 5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -0.0740 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -3.3260 5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -5.7860 5.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -5.7630 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -3.3030 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.0830 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.1400 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.8460 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.6310 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 22 1 M CHG 1 24 -1 M END