IFLAB-ZINC05143854 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 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 -1.2930 -0.7750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -2.5500 -0.0030 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -3.1900 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -2.5110 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -3.1890 0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -2.6680 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3290 -1.4580 0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 -3.5410 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0550 -4.8430 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 -5.3240 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -4.5450 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -4.8960 -0.0030 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6540 -2.9900 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6400 -4.1300 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0820 -4.6590 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9870 -5.7040 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4510 -6.2190 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0100 -5.6890 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1080 -4.6410 -1.1270 C 0 0 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 -1.8590 -0.5240 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -0.5150 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7960 -2.3850 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8130 -2.3740 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7200 -4.2570 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3310 -6.1190 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1570 -7.0360 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3720 -6.0920 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7670 -4.2240 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END