IBS-ZINC04137399 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.5420 1.0450 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -0.2420 -1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.9120 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -0.4230 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -1.2150 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.4940 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -2.9930 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -2.1990 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -4.3270 -2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -5.2990 -1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -4.5760 -3.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -5.9460 -4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -5.9380 -5.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -6.9210 -6.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -4.6330 -5.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -3.6820 -4.6220 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6200 -3.1840 -4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -2.6810 -5.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.3210 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.4340 -5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -0.9190 -6.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -2.2810 -6.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -3.1690 -5.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -4.2420 -6.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -4.0850 -8.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -3.4690 -10.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -3.5380 -11.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -4.8920 -12.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -5.5250 -11.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -5.5610 -9.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -6.9190 -3.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 0.9900 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 1.7420 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 1.4280 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 0.5650 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 -0.8340 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -3.1010 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -2.5790 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -0.9480 -4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 0.6290 -5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -0.2510 -6.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -2.7100 -6.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 -3.3130 -6.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -5.0230 -7.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -4.8630 -8.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -3.1080 -8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -2.4310 -10.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -4.0140 -10.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -3.1120 -12.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 -2.9630 -11.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 -6.5460 -11.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -5.0030 -11.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -6.1130 -9.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -5.9970 -9.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -6.1590 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -4.1350 -9.4040 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4690 -3.6000 -9.2980 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END