IBS-ZINC06759195 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 0.0240 -0.7680 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.3260 2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.8590 2.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -1.2550 3.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.5650 3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -3.3730 4.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -3.0110 1.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.1360 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -2.4410 -0.7550 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.7270 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.1670 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 1.0390 -2.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.4540 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -4.9760 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -6.4610 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -7.3470 2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -8.7090 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -9.1840 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -8.2970 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -6.9360 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.8320 4.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -0.7030 5.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -1.9900 5.4590 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 0.5870 -4.6510 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -4.9570 2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -4.7790 2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -4.4730 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -6.9760 3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -9.4020 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -10.2480 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -8.6680 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -6.2430 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -1.5720 5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 0.1320 5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.3030 6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -0.0300 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -1.9840 5.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.9880 -3.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.5260 -4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 43 44 1 0 0 0 0 M END