IBS-ZINC04023502 MOE2007 3D Structure written by MMmdl. 48 51 0 0 1 0 0 0 0 0999 V2000 -0.4490 -3.3810 8.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -4.0010 7.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -3.6750 6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -4.5500 5.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -4.0830 3.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -4.8200 3.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -2.6950 3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -2.1770 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -0.8460 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.0280 3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.5610 4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -1.8950 4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -2.3550 5.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 1.2500 2.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 2.2010 3.5330 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6170 1.7500 4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 2.8130 4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 3.3160 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 4.1870 2.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -5.9440 5.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -6.9740 5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -8.2970 5.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -8.5960 6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -7.5770 6.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -6.2530 6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -7.8050 7.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -9.1930 7.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -10.0540 7.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -9.9110 6.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -3.6270 9.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -2.2900 8.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -3.7560 8.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -5.0800 7.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -3.6190 7.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -2.7950 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.4350 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 0.0330 5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 2.0730 5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 3.1660 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 3.6540 4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -6.7540 4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -9.0900 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -5.4710 6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 -9.4370 6.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -9.3430 8.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -11.1090 7.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -9.7840 8.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 3.2370 2.6420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M CHG 1 48 -1 M END