IFLAB-ZINC00086750 MOE2007 3D Structure written by MMmdl. 40 42 0 0 0 0 0 0 0 0999 V2000 -1.0690 8.2530 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 7.5820 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 8.3440 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 7.7330 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 6.3720 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 5.5900 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 6.1980 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 5.4320 -1.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 4.0930 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 3.4090 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 4.1190 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 3.5330 2.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 2.0480 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0910 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4130 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6770 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -0.6930 -0.0380 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7020 -1.9110 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -0.0710 -0.0450 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1850 3.3210 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 9.6980 0.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 10.4280 2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 8.4380 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 9.2000 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 7.6070 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 8.3400 3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 5.9030 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 3.1710 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7570 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 3.1580 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 3.8870 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 2.3590 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 11.4970 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 10.1920 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 10.1520 2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 24 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 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 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END