IBS-ZINC02102091 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -2.1940 0.7190 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -0.7110 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -0.8990 0.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5240 -0.1040 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -0.7060 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -2.2620 0.6910 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5320 -2.4120 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -2.2090 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -2.9500 2.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -3.4140 0.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -3.7280 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -4.0670 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -3.8010 -1.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -5.0760 -0.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -5.9110 -2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -6.9250 -1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -7.8090 -3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -8.8200 -3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0390 -8.5340 -3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0690 -9.4680 -3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 -10.6930 -2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -10.9860 -2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -10.0530 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 0.8080 -2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 1.0140 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 1.4250 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -1.3740 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.9860 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -0.8600 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 0.3110 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -1.4000 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -5.2260 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -5.2560 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -6.4170 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -7.5450 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -6.3990 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -7.1870 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -8.3350 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2470 -7.5810 -4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0620 -9.2400 -3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6240 -11.4190 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3590 -11.9420 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -10.2920 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -1.4520 2.6780 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 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 23 43 1 0 0 0 0 M CHG 1 44 -1 M END