IBS-ZINC06658472 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.6520 -0.2580 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.0890 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.8510 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -0.6420 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.3480 -1.3800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4400 -0.7630 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -0.9760 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -0.2850 -1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.1010 -1.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 1.6240 -2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 0.8950 -3.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 3.1140 -2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 3.4410 -4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 2.7460 -5.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 3.2360 -4.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 2.9090 -2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 3.6050 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 2.5400 -5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 3.0960 -4.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9340 4.1600 -5.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 4.6590 -6.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1730 4.7000 -4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8320 5.7930 -5.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9890 6.2600 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4950 5.6480 -3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8510 4.5640 -2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6870 4.0800 -3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0100 2.9920 -2.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3530 2.5540 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8860 2.5350 -3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 1.5760 -2.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 0.0550 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 0.3540 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.3050 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.9690 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -1.9090 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -0.7300 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -0.4570 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -1.7190 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.1680 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 1.6840 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 3.6100 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 4.5190 -4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 3.0920 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 2.9780 -6.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 1.6670 -4.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 4.3140 -4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 3.2580 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 1.8310 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 3.3720 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 4.6830 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 2.7000 -6.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 1.4720 -4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4400 6.2720 -5.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5030 7.1080 -4.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4020 6.0240 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2520 4.0930 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.3040 -1.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -2.6610 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 58 1 0 0 0 0 9 10 1 0 0 0 0 9 41 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 17 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 58 59 1 0 0 0 0 M END