IBS-ZINC05452377 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 0.4370 1.7350 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 0.2390 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.4240 -1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.7970 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -2.5950 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -3.9900 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -4.5950 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -3.8040 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -2.4080 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -1.5550 -3.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -2.1240 -4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -0.9870 -5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -6.0680 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -6.5840 -2.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -6.7940 -0.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -8.2420 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -8.9020 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -10.3740 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -11.2040 0.6030 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0040 -10.8910 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -12.4860 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -13.3440 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -12.5050 -1.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -13.3500 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -11.2220 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -11.0820 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 2.0370 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 2.0140 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 2.2930 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.0130 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -0.0370 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.1630 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -4.5750 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -4.3010 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -2.7190 -4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -2.7470 -5.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -1.3710 -6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.3630 -5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -0.3360 -5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -6.3200 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -8.5330 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -8.5530 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -8.6370 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -8.5450 -1.2910 H 0 0 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 30 1 0 0 0 0 2 31 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 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 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 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 25 2 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 19 1 M END