IBS-ZINC04812522 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 0.0910 1.7430 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.2480 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -0.2310 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -1.7370 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -2.1960 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -2.6100 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -2.5950 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -3.0780 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 -3.5140 -2.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8090 -3.9940 -2.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4370 -4.4670 -3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7980 -5.1100 -3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9910 -5.8530 -4.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7070 -6.2340 -5.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0550 -7.3340 -6.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7080 -7.0100 -6.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8800 -6.6680 -5.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -3.0760 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 -3.4510 0.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -2.6170 1.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -2.1740 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 -1.7830 2.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 2.0640 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.9990 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 2.3100 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.2870 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 0.0220 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 0.3130 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 0.0030 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -2.2830 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -1.9720 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 -3.5180 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3290 -3.9940 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5650 -3.6260 -4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7740 -5.1950 -3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6970 -6.0070 -2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4400 -4.3920 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4510 -4.9730 -3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9760 -6.6900 -3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7340 -6.5390 -5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7540 -5.3850 -6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2760 -7.8820 -6.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7080 -6.1820 -7.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8420 -7.5110 -4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8710 -6.3610 -5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -2.5950 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5330 -5.5070 -4.4340 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.5460 -4.6920 -5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END