IFLAB-ZINC00213876 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -2.6680 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -0.5410 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1020 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -2.5810 0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 -1.6120 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3270 -2.3620 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4260 -3.2890 1.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 -4.2580 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 -3.5080 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6500 -3.9340 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9640 -4.8700 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2230 -5.4920 2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2630 -6.3420 3.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0020 -6.9190 3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0740 -6.2280 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3130 -5.3630 3.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0650 -5.1760 1.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7280 -4.2940 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5590 -3.6800 0.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -3.7480 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0350 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 1.1810 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -1.0300 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -0.9450 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1490 -1.6470 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3780 -2.9230 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 -4.9250 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3610 -4.8400 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -4.2230 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -2.9470 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8030 -6.7730 4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4360 -4.0610 -0.5990 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 M END