IFLAB-ZINC04315207 MOE2007 3D Structure written by MMmdl. 48 51 0 0 0 0 0 0 0 0999 V2000 0.1810 5.3140 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 3.8280 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 3.1260 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 1.7530 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 1.0670 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 1.7520 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 3.1370 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 1.0160 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -0.1250 2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -0.2340 3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -0.6540 3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 0.3060 2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 0.4100 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -0.8450 5.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 0.1000 6.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 1.0830 5.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -0.4450 7.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 0.1300 8.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -0.7510 9.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -2.1290 9.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 -2.6920 8.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -1.8060 7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 5.8290 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 5.6320 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 5.6230 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 3.6480 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 1.2190 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.0030 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 3.6950 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 1.5890 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 0.0220 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -1.0950 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 0.2730 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 0.7290 4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -0.9580 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -1.6590 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 1.2990 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7720 -0.0340 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 1.1740 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 -0.5480 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 1.1880 8.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 -0.3630 10.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 -2.7700 10.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 -3.7470 7.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -2.0000 5.7030 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6540 -2.8990 5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 0.8230 1.3570 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7700 1.7500 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 45 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 45 1 M CHG 1 47 1 M END