IBS-ZINC02116395 MOE2007 3D Structure written by MMmdl. 49 49 0 0 1 0 0 0 0 0999 V2000 0.5010 -5.0790 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -4.1820 1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -4.2170 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -2.7590 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -2.0290 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -2.5530 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -2.5280 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -1.1370 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -0.5710 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -0.6030 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9270 0.0430 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 0.5830 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 1.1850 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 1.7500 2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 3.3500 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 1.5420 2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -5.0770 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -4.7500 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -6.1140 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -4.5940 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -3.5900 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -5.2380 3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -3.8580 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -2.3280 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -3.5690 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -1.9220 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -3.2450 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -2.8520 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -1.1770 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -0.4600 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 0.4580 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -1.1470 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 1.3400 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -0.2420 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 0.4120 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 1.9810 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 2.4910 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.9680 3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 2.7190 4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 3.8830 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 4.0660 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 1.0270 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 2.1510 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 0.8340 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 0.0540 -0.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0170 0.8390 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.6100 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 2.4650 2.2860 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6810 3.1020 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 48 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 48 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 48 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 45 1 M CHG 1 48 1 M END