IBS-ZINC06662276 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 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 -5.4190 -2.8750 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 -3.5570 1.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3000 -3.8780 2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 -3.6000 3.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4920 -4.5060 2.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1280 -4.8540 3.9420 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.9120 -4.0820 4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6420 -4.9600 3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2050 -3.5870 3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6950 -3.6910 3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2500 -4.7550 3.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4070 -2.6030 2.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8380 -2.7780 2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5910 -6.1760 4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7620 -6.7670 3.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0340 -6.6970 5.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4730 -7.9740 5.9860 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 -4.6780 -3.4950 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -1.9210 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1520 -3.7790 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9290 -4.7270 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8540 -5.6690 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1060 -5.3050 4.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9920 -2.8780 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7410 -3.2420 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2910 -1.8230 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0230 -3.5020 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2740 -3.1390 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9150 -8.2810 6.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 -8.7240 5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 -7.8750 6.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 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 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M END