NCID-ZINC05808226 MOE2007 3D CORINA 3.40 0006 02.08.2006 88 90 0 0 1 0 0 0 0 0999 V2000 0.0140 0.0360 3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -0.3690 1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -0.4250 1.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 0.8190 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 0.9630 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -1.6370 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -2.6340 1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -1.6980 0.6000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5530 -1.0720 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -3.1550 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -4.4340 -1.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7450 -4.6130 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -5.6780 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -5.2200 1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 -6.2580 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5050 -6.0190 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2900 -6.6650 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6560 -6.3930 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2500 -5.4770 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4800 -4.8280 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1130 -5.0950 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8150 -4.0790 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 -4.1300 -3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8800 -3.8250 -4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0850 -3.4610 -3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1560 -3.4010 -2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0310 -3.7070 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1030 -3.1960 -4.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3750 -2.8630 -3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3760 -2.7340 -4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5290 -3.7710 -5.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4670 -3.6680 -6.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2650 -2.5310 -7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1270 -1.4970 -6.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1900 -1.5990 -5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -1.1830 1.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -0.8160 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -0.9960 0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 -0.3130 2.4180 O 0 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0 -7.2610 1.4430 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9690 0.9770 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 -0.1700 4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 0.9460 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8600 1.6970 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 2.0640 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -3.3080 -0.2110 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7500 -3.5200 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 -2.3980 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 47 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 49 1 0 0 0 0 4 50 1 0 0 0 0 5 51 1 0 0 0 0 5 52 1 0 0 0 0 5 53 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 10 1 0 0 0 0 8 36 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 10 86 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 86 1 0 0 0 0 13 14 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 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