IBS-ZINC04994114 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 -3.0940 9.3490 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 8.3910 4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 6.9880 3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 6.9400 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 5.4990 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 5.4270 -0.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 5.5580 -0.7590 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9770 6.5450 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 5.6200 -2.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0040 5.3410 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 5.2650 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 5.1310 -1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 5.2660 -3.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3620 4.6850 -3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 3.5780 -3.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7670 5.0780 -3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1590 6.4080 -3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 6.7120 -3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4550 5.6940 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 4.3610 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7230 4.0600 -3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8960 3.2730 -3.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2810 3.5260 -3.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 4.4910 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 3.1490 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 2.1650 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3030 2.5050 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7440 3.8260 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 4.8210 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 6.1360 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6390 6.4530 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 10.3260 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 8.9700 4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 9.4330 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 8.0000 5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 9.4170 4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 7.7620 4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 6.6720 3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 6.3460 3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 7.5290 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 7.3830 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 4.8990 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 5.0550 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 6.6540 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 7.2300 -3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8070 7.7480 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4870 5.9750 -4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4280 3.0180 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6950 4.1240 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4600 4.0020 -4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8000 2.5620 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 2.8550 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 1.1340 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9680 1.7390 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7560 4.0430 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7710 7.5030 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2620 5.8500 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9550 6.3430 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 8.3930 3.5190 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3130 8.7490 2.7810 H 0 0 0 0 0 0 0 0 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 1 59 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 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 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END