IBS-ZINC04994114 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 -0.7680 7.7100 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 6.2360 3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 5.4390 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 5.7750 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 4.5140 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 4.7720 -0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 5.1150 -0.7450 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5400 6.0500 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 5.4070 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 5.0750 -2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 4.7200 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 4.4780 -2.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 5.0850 -4.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 5.9030 -2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8770 6.2020 -1.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 6.1870 -4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 5.3170 -4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8580 5.5910 -6.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 6.7310 -6.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 7.6040 -6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 7.3340 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 8.7460 -6.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 8.9700 -7.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 4.0310 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 4.3780 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 3.4230 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 2.1080 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 1.7460 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 2.6980 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 2.4270 -1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 1.1200 -2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 8.5300 3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 7.2790 4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 8.0760 2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 5.7640 4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 7.1330 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 5.5410 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 5.1050 3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 4.6540 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 6.5130 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 6.2250 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 3.7480 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 4.1060 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 6.5350 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1460 4.4190 -4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4310 4.9120 -6.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 6.9080 -7.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 8.0180 -4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 8.1390 -8.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 9.1550 -8.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 9.8690 -8.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2290 5.4030 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6690 3.7040 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 1.3600 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1440 0.7090 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 1.1030 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 0.3730 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4900 0.8780 -2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 6.6440 2.7160 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4520 7.0660 1.8680 H 0 0 0 0 0 0 0 0 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 1 59 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 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 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END