IBS-ZINC05050417 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -1.1270 1.5190 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 0.0340 -2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -0.6050 -1.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -1.9370 -1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -2.6200 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -3.9720 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -4.6480 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -3.9630 -3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -2.6120 -3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -6.0180 -2.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -6.8380 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -8.1800 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -8.9630 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -8.4080 1.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -7.1270 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -6.3500 0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -6.5850 2.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -7.4120 3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -6.9280 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -7.7440 5.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -9.0460 5.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -9.5300 4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -8.7140 3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -9.8490 6.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -11.1790 6.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -11.9260 7.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -10.3050 0.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -8.7590 -2.1760 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6540 -8.7470 -2.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -9.2490 -3.0610 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8790 1.6220 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 1.9850 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 2.0070 -3.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -0.4320 -3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -0.0690 -3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -2.0940 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -4.5030 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -4.4880 -4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -2.0810 -3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -6.3950 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -5.6330 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -5.9140 4.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -7.3680 6.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -10.5450 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -9.0900 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -11.1410 5.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -11.7000 5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -11.9640 8.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -11.4050 8.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -12.9400 7.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -10.7030 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -10.8450 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 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 28 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END