IBS-ZINC04160106 MOE2007 3D Structure written by MMmdl. 54 58 0 0 0 0 0 0 0 0999 V2000 5.7740 1.3070 2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 1.4270 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 0.1670 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 0.0710 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 1.2830 -0.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 1.5340 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 0.7050 -2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.3430 -3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 2.7440 -3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 3.5770 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 2.9370 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 2.4720 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 2.5770 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 3.8650 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 4.9440 1.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -1.0860 -0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -2.3910 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -2.6800 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -4.0020 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -5.0750 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -4.7900 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -3.4690 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -6.5170 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -6.9060 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 -8.3600 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -8.6460 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -8.2600 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -6.8060 -1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 0.6970 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1430 2.2750 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 0.8320 3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -0.7290 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -0.3710 -2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 0.7360 -4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 3.1870 -4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 4.6570 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -0.9830 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 -1.8840 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 -4.1810 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -5.5960 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -3.2940 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 -7.1650 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 -6.2590 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -6.7590 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2260 -9.0240 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -8.5870 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1610 -9.7090 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8440 -8.0870 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -8.9180 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -8.4170 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 -6.5880 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 -6.1520 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 3.4650 -0.8320 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2310 4.4590 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 13 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 12 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 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 53 2 0 0 0 0 13 14 1 0 0 0 0 14 15 3 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END