IFLAB-ZINC04939596 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -2.3540 -4.0640 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -3.5670 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -2.0130 -1.5900 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9610 -1.6200 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -0.8680 -2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -0.1580 -3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -0.4660 -2.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 0.8190 -3.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 1.4030 -4.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 1.8400 -5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 2.4160 -6.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 2.5610 -5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 2.1200 -4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 1.5500 -3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 3.1310 -6.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 3.9400 -7.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 4.7070 -7.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 5.0210 -6.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 5.7950 -6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 6.2600 -7.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 5.9520 -8.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 5.1840 -8.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -2.6690 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 -3.8410 -1.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -4.7840 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -4.5670 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -3.6260 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -4.0550 -2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -4.2970 -4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -2.7680 -4.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -1.2690 -3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -0.1650 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 1.1170 -4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 1.7280 -6.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 2.7540 -7.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.2300 -4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 1.2140 -2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 4.6590 -5.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 6.0390 -5.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 6.8650 -7.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 6.3170 -9.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 4.9480 -9.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -3.0030 -2.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 -1.9510 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 -2.4150 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 43 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 3 43 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 16 17 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 44 45 1 0 0 0 0 M END