NCID-ZINC05046523 MOE2007 3D Structure written by MMmdl. 77 81 0 0 1 0 0 0 0 0999 V2000 2.0660 2.2140 4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 2.9620 2.8950 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7180 3.0660 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 4.3340 3.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8040 4.9750 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 5.0000 1.8000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6980 5.3710 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 4.0650 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 2.6840 0.8140 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6170 2.7350 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 2.1790 2.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 1.8530 0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 0.5220 -0.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2880 0.4180 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -0.4430 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -0.3020 0.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3430 0.0750 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -0.1880 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 0.1530 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 0.0400 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -0.3780 -3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -0.6720 -4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -0.5650 -3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -0.7970 -3.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -1.0790 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -1.2800 -6.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -1.2290 -6.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -1.6520 -7.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -1.8170 -8.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -1.5600 -8.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -1.1320 -6.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -0.9640 -5.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -0.5020 -4.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -0.1920 -4.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 -0.8710 -6.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -1.0010 -7.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 0.3270 -1.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -1.6150 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -1.6880 1.9610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -2.8030 2.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -3.4760 3.5980 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -4.5960 4.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -3.6260 3.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -2.1670 4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -2.7570 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 0.7910 1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 4.2170 3.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 3.2950 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 1.2460 3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 2.7830 4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 1.9950 4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 4.4920 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 3.9510 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -1.4710 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -0.2270 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -0.2400 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 1.1700 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -1.0240 -4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -1.8580 -8.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -2.1480 -9.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -1.7060 -8.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 -2.0350 -7.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -0.3110 -7.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 -0.7340 -6.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.1830 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -2.7030 2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -1.9320 5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -2.5300 5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -1.2940 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -2.8010 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -3.7290 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -2.5830 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 1.5200 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 6.1850 2.1200 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6970 5.8860 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 6.5100 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 6.9780 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 74 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 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 58 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 35 36 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 2 0 0 0 0 38 45 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 66 1 0 0 0 0 41 42 2 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 44 67 1 0 0 0 0 44 68 1 0 0 0 0 44 69 1 0 0 0 0 45 70 1 0 0 0 0 45 71 1 0 0 0 0 45 72 1 0 0 0 0 46 73 1 0 0 0 0 47 48 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 74 77 1 0 0 0 0 M CHG 1 74 1 M END