IBS-ZINC04026818 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4960 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -0.6460 0.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4940 0.3230 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -1.6580 1.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5120 -2.5520 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -1.9640 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -1.7180 -1.1480 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0080 -2.6120 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -1.3660 -0.6640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1500 -2.2950 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4820 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -0.5920 -1.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 0.0330 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 1.0700 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 1.4910 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 2.4240 -3.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 0.8490 -3.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 1.1310 -4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -0.1860 -3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.7590 -3.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -1.0460 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -2.0680 2.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -1.6910 3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -0.5390 4.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -2.6760 4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 -2.2860 5.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -3.2090 6.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 -4.5260 5.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -4.9180 4.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -4.0030 4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0160 -5.4330 6.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9630 -6.7690 5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -0.5420 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2040 -0.3020 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 1.5730 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -0.2440 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -0.6450 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 -1.2620 5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 -2.9080 6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 -5.9430 4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 -4.3090 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6780 -7.3900 6.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9590 -7.1690 5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2130 -6.7680 4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -0.1730 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -1.6310 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -0.2040 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 13 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 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 32 46 1 0 0 0 0 33 34 1 0 0 0 0 34 47 1 0 0 0 0 34 48 1 0 0 0 0 34 49 1 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 M END