IBS-ZINC04089444 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 62 0 0 1 0 0 0 0 0999 V2000 0.7990 -0.3770 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0050 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 1.5170 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.5280 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -2.0580 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7610 -2.4100 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -2.5720 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -2.9580 0.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -2.6020 -1.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -3.1020 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -3.0300 -3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -2.0120 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -3.4340 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7810 -3.3620 -4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 -4.3150 -5.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 -5.3340 -5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -3.9120 -5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 -3.9840 -3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 -4.2440 -7.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 -3.5040 -7.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -5.0040 -8.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 -4.9340 -9.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8740 -4.7790 -9.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -6.2440 -10.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 -7.3900 -9.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -8.9430 -10.4030 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 -10.1620 -9.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -3.7880 -10.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 -3.1000 -9.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -0.0050 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -1.4610 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 0.0700 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -0.4520 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 1.7860 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 1.8800 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 1.9690 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -0.1750 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -0.1630 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -2.2940 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -4.1370 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -2.4910 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 -4.4520 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 -2.7540 -2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8200 -3.6490 -5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 -2.3430 -5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -4.5910 -6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -2.8930 -5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -3.6960 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -5.0020 -3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -5.5960 -7.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -6.1600 -11.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -6.4440 -9.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -7.4740 -8.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 -7.1900 -9.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6530 -11.1490 -10.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -10.1760 -8.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8970 -9.8920 -9.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -2.2370 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 -3.5320 -11.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -2.5500 1.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -3.5560 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -2.7870 -11.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 60 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 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 M END