OTAVA-ZINC05374733 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -3.3140 -0.1070 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -1.2300 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -1.4060 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.6760 2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -2.6060 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -3.1090 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -2.5870 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.7990 4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -2.3260 5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -1.6280 6.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.4260 5.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -1.9050 4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -1.1380 7.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -1.7960 8.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 0.0540 7.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 0.7530 9.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8930 0.0140 9.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.7920 9.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 1.1720 9.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 2.2900 9.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 2.6410 10.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 1.5590 9.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 1.7820 7.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -3.3340 -0.3830 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -2.1490 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -2.2030 -2.6290 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 0.5230 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -0.4900 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 0.4970 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -3.9980 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -3.3290 4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -2.4930 6.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -0.9160 5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -1.7410 3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 0.5610 7.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 2.4290 10.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 2.4650 8.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 0.5460 8.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 0.5370 10.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 2.7120 8.7240 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7040 1.8620 10.1390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 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 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 40 -1 M CHG 1 41 -1 M END