IBS-ZINC04769687 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 6.0070 1.5690 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7780 2.2520 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 3.0280 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 3.1270 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 2.4390 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0880 1.6640 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 3.9630 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 5.3780 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 6.1680 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 7.5800 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 8.2840 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 7.6020 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 6.2140 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 5.5040 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 3.3750 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 2.0390 -0.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 1.2970 -1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -0.0240 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -0.8150 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 0.0320 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 1.3400 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 5.9810 0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 0.9660 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 2.1820 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 3.5580 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 2.5040 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.1350 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 8.1640 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 9.3690 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 8.1520 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 5.6970 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 1.8780 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 1.0940 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.6230 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 0.1670 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -1.1360 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -1.7220 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -0.5330 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 0.2500 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 1.1390 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 1.9560 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 5.4160 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 6.9800 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 4.1700 -0.4020 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7310 3.6880 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 44 2 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END