IBS-ZINC04729131 MOE2007 3D Structure written by MMmdl. 55 57 0 0 1 0 0 0 0 0999 V2000 -4.9460 6.3400 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 7.6140 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 5.2180 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 4.1570 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 1.6720 -0.9950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4810 1.9990 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 1.0410 -3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 1.0300 -3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 0.6920 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 1.6170 -0.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0790 2.6290 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 1.2280 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 1.5670 1.5640 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4940 0.7580 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 2.8930 1.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4670 3.0700 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 3.0170 3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.7470 4.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.5260 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 4.0410 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 4.9790 1.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 0.3810 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -0.5810 -0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 5.9500 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 7.3200 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 5.6580 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 7.7650 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 8.5220 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 7.3200 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 4.8420 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 5.5350 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 4.5410 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 3.9100 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 1.9690 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 3.0020 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 0.0270 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 1.3540 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 0.3030 -4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 2.0130 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 0.7680 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.3550 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 0.1510 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 1.7240 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 4.0140 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 2.2750 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 3.0770 4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 3.8930 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 0.8870 4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 1.7940 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 0.5540 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 2.2840 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 6.4980 -0.4410 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0070 6.8310 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 2.8010 0.0690 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3680 2.4240 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 52 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 52 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 3 0 0 0 0 22 23 3 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 52 1 M CHG 1 54 1 M END