IBS-ZINC05142186 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 -11.9820 9.1870 4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7510 7.9380 4.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5940 7.2900 4.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3080 6.0710 5.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1350 5.4110 4.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2360 5.9690 3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5240 7.1960 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7010 7.8480 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 5.2620 3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 4.8050 4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 4.1640 4.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 3.9140 3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 3.2380 2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 2.9950 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 3.4130 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 4.0740 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 4.3310 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 5.0430 2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2640 5.4310 1.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 2.3390 1.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 2.1140 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -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 3.6880 -0.6940 -0.0380 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7040 -1.9120 -0.0440 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 -11.1830 9.8840 4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0020 9.0350 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9380 9.5970 4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0050 5.6400 5.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9130 4.4630 5.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8270 7.6320 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9260 8.7970 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 4.9650 5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 2.9060 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 3.2120 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 4.3960 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 3.0710 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 1.5170 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -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 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END