IBS-ZINC04041689 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 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 -2.3750 0.1040 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -0.5340 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -1.9120 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -2.6680 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.0200 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -4.1380 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -4.8320 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7780 -6.2350 -0.6040 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7520 -6.4160 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -7.1880 0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -6.5630 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -7.1260 2.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -5.0860 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -4.2550 2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -8.5700 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -9.1240 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 -10.4990 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -11.2750 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -10.6570 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -9.3440 1.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -6.3620 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 -6.9100 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8300 -7.0270 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4350 -6.5950 -3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -6.0460 -4.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -5.9230 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -5.3780 -3.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -4.9470 -4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -4.7900 -0.0100 O 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 -2.3300 1.1830 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 0.0490 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 -2.4060 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.5980 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -8.4910 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -10.9580 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -12.3510 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -11.2560 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 -7.2490 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8110 -7.4570 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -6.6870 -4.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -5.7090 -5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -4.5330 -4.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -5.7970 -5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -4.1840 -4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -4.2400 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 32 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 M END