IBS-ZINC01463872 MOE2007 3D Structure written by MMmdl. 50 53 0 0 0 0 0 0 0 0999 V2000 -2.6300 4.0300 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 3.3880 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 4.1870 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 3.5590 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 4.2250 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 2.0850 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 1.3930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.6760 -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 -0.0170 1.3850 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 2.0540 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.0330 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -2.6680 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -4.1640 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -4.8580 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -6.2290 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -6.9090 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -6.2160 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -4.8430 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -8.3780 -0.0630 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7360 -8.9770 -1.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -8.9890 0.9890 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3090 5.6630 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 6.3670 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 7.7410 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 8.4230 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 7.7350 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 6.3560 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 5.6780 2.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 6.4520 3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 4.1900 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 3.3770 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 4.9870 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 1.9360 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -0.5090 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -2.3630 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -2.3740 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -4.3270 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -6.7710 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -6.7460 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -4.3020 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 5.8380 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 8.2860 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 9.4980 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 8.2730 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 6.9940 3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 5.7900 4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 7.1610 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END