IBS-ZINC05055104 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 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 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.6650 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1010 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.6290 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -2.8640 1.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 -3.4830 1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2790 -3.8470 0.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9880 -3.7180 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6900 -4.9020 3.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 -4.6470 5.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 -5.5460 6.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 -6.6800 5.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -7.6460 6.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -8.7960 6.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -9.0360 5.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -8.1260 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -6.9250 4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0260 -6.0220 3.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9400 -3.4130 5.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7400 -2.8630 3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2150 -1.6400 3.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6960 -2.7790 6.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7650 -1.9390 7.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0280 -0.6720 7.2000 C 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 -0.3430 -2.6010 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -3.7440 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -2.0080 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -3.5830 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -2.5740 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 -7.4750 7.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 -9.5340 7.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 -9.9560 5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -8.3250 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0330 -1.3150 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7340 -1.0980 4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4750 -2.1450 5.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1520 -3.5480 6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 -2.3830 7.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3610 -0.0700 7.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9110 -0.2280 6.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 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 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 25 2 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 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 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END