SPECS-ZINC04610768 MOE2007 3D Structure written by MMmdl. 52 55 0 0 1 0 0 0 0 0999 V2000 2.0700 4.5340 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 3.7730 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 2.3060 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 1.5460 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 0.0810 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.5540 -0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -1.8730 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.5290 -0.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -2.4410 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 -1.6770 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 -2.2710 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 -3.6340 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -4.3930 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -3.8010 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 -4.1520 -0.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 -5.4630 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -6.4110 -1.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4650 -5.6210 -0.9950 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.7990 -5.2570 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9710 -7.0670 -1.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4170 -7.8370 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9480 -7.2020 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8160 -5.9790 -2.9680 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.0410 -5.7110 -4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1350 -4.8720 -2.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4740 -4.2570 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3060 -4.0970 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2550 -2.9540 -1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4100 -4.9020 -1.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0440 -6.2060 -2.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.8830 -6.6740 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4960 -7.0850 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 4.1030 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 4.5110 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 5.5810 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 4.2490 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 3.8430 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 1.8360 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 2.2420 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 2.0110 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 1.6080 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 0.0020 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -0.4120 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -0.6170 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -1.6490 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -5.4520 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -4.4180 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3130 -3.4830 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9490 -7.1020 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4120 -8.1280 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8730 -8.1090 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7530 -6.7080 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END