IFLAB-ZINC04136635 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 1 0 0 0 0 0999 V2000 0.0220 1.5470 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.1500 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.5190 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 0.1410 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 1.5130 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 2.2360 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 2.2340 -0.1190 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3540 2.2360 0.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 2.8530 -1.1560 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4580 -0.8710 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 -0.6100 -0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -2.0850 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -1.9470 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -2.7880 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -3.3850 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5940 -3.1710 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -4.1780 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -3.4540 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -3.4990 -3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 -4.0440 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -2.6330 -4.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -2.4170 -4.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.1090 -4.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -1.3910 -4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -2.5840 -3.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -4.2130 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -3.5420 2.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 2.1060 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -0.3920 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 3.3240 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 -5.1470 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -4.4050 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -5.4580 1.1140 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 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 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 33 -1 M END