CHEMBRIDGE-ZINC01133335 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 -1.1290 -2.5240 3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -1.6740 2.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -1.5900 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -2.3050 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -2.2230 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -1.4240 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -0.7020 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.7770 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.3540 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 2.0880 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 1.5530 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 2.3700 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 1.8050 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 0.4200 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -0.3980 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 0.1580 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -0.6940 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -1.9110 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 2.6060 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 1.9610 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 3.0030 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6740 3.4830 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 4.4410 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1820 4.9120 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6940 4.4290 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 3.4740 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2520 5.9350 -0.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 11.7020 6.3510 0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6820 6.3610 -1.1370 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2440 -3.5440 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -2.5000 4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -2.1750 3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 -2.9310 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -2.7860 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -1.3640 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -0.0790 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 1.8600 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 3.4450 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 -0.0080 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -1.4700 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 1.3340 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 1.3440 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 3.1110 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 4.8190 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0940 4.7980 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3140 3.0960 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END