IBS-ZINC04088765 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.2690 -0.7390 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -0.0630 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -0.7720 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -2.1660 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -2.8510 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -2.1460 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.7940 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -2.1270 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -2.7540 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -0.7180 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -0.0050 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 0.1340 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 0.8470 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 1.2080 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 1.0820 -2.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 1.7750 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 1.9140 -3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 2.6270 -3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3590 2.0540 -3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3300 3.0180 -3.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2850 2.8470 -3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7500 4.2670 -3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3560 4.0770 -3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5020 5.1810 -3.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0260 6.4430 -3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4000 6.6360 -3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2610 5.5600 -3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.3580 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -2.8580 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 1.0170 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -0.2510 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -0.5780 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 0.9850 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 0.7070 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -0.8560 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 0.7930 -3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9980 1.2020 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 2.7650 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 2.4870 -4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 0.9240 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5420 0.9900 -3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 5.0390 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3650 7.2970 -3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7990 7.6400 -3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3290 5.7200 -3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -4.7280 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -4.7110 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -4.7250 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -3.0630 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 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 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END