IBS-ZINC02160704 MOE2007 3D CORINA 3.40 0006 02.08.2006 82 86 0 0 1 0 0 0 0 0999 V2000 0.8140 1.2780 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -0.2410 0.4030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7080 -0.7830 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -1.5330 2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -1.8010 2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -1.3480 1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -0.6470 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.2550 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -0.7160 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -0.1030 -2.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1440 0.9880 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.6520 -0.9950 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1520 -1.7540 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -0.2560 -1.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3020 -0.4670 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 -1.0770 -2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -1.3410 -3.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8590 -0.2590 -3.4230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2950 0.7210 -3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -0.6810 -4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -1.1860 -5.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.3240 -5.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1380 -0.1630 -5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 0.8390 -4.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 -0.2470 -6.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 0.9750 -6.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -2.5610 -5.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -2.7410 -3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 1.1340 -1.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -2.5140 3.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -2.9520 4.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -3.6690 5.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -4.0850 6.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -3.7970 6.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -4.7780 7.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -5.1830 8.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -5.9500 10.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -6.3670 11.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -5.5300 12.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -5.9090 13.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 -7.1310 12.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -7.9680 11.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -7.5870 10.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 -7.5060 13.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 1.6240 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 1.7270 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.5700 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -1.4430 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 0.0580 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -1.8830 3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -1.5930 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -0.7450 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 0.8240 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -1.8010 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -0.3670 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -0.5490 -3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -2.0380 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -1.4630 -4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 0.1850 -4.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -2.1520 -6.0390 H 0 0 0 0 0 0 0 0 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10.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -7.9980 14.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 5 2 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 73 1 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 38 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 39 1 0 0 0 0 38 43 2 0 0 0 0 39 40 2 0 0 0 0 39 78 1 0 0 0 0 40 41 1 0 0 0 0 40 79 1 0 0 0 0 41 42 2 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 M END