IBS-ZINC05216254 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.3390 1.4290 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 0.0000 -1.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.6350 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 0.1040 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.5390 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -1.9230 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -2.6670 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -2.0200 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -4.0670 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -4.8070 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -4.1790 -0.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -4.8570 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -6.2440 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -6.8690 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -6.1250 -0.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -8.2490 -0.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -8.8590 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -9.9930 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -10.5940 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -10.0690 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -8.9390 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -8.3360 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 -8.2830 0.9250 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 -7.0360 -0.4620 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6910 -7.4470 0.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -7.2760 -1.5620 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1480 -4.1920 -0.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 -2.5540 1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 -1.7270 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 1.8070 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 1.7950 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 1.7740 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1830 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 0.0390 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -2.5950 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -4.5170 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -8.7900 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -10.4040 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -11.4750 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -10.5400 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -7.4570 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -3.2260 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -4.6930 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -2.3550 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -1.1080 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9830 -1.0880 1.0230 H 0 0 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 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 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 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END