OTAVA-ZINC04745006 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.2930 1.3870 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 0.2660 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -0.0820 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -1.1780 -3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -1.8650 -3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -1.5180 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -0.4640 -1.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -0.3260 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -1.2990 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -2.0330 -1.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -1.5610 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 -0.5570 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 -0.8340 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7630 -2.1190 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -3.1370 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 -2.8490 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -4.4050 0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 -5.5910 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -5.7590 -0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -6.7310 0.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.2690 -6.3430 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8720 -7.9070 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8250 -9.0920 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0040 -9.5680 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5060 -8.4430 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -7.1900 1.7570 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6490 -7.4160 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 -6.1550 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5770 -5.0420 2.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.8570 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 2.1660 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 1.0200 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 0.4290 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -1.4290 -4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -2.6820 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 0.4200 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 0.4540 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 -0.0530 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 -2.3250 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -3.6180 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6450 -4.4780 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 -7.5750 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 -8.2400 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7960 -8.8070 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4340 -9.9100 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7140 -10.4030 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 -9.9480 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5290 -8.1770 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5760 -8.8270 2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 -6.5120 3.8460 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 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 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 50 -1 M END