IBS-ZINC04837553 MOE2007 3D Structure written by MMmdl. 66 67 0 0 1 0 0 0 0 0999 V2000 1.4950 0.6930 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 1.6230 3.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4300 1.5110 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 3.0810 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 4.0760 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 3.7020 1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 2.2900 1.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3920 1.9410 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 1.3060 1.7530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4250 1.4760 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -0.1520 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -2.4780 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -3.3350 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -5.6710 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -7.1300 -0.4700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7560 -7.3610 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -8.1110 -0.8160 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9810 -7.9370 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -9.5670 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -9.8510 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -8.8720 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -7.3990 -1.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1200 -7.0310 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -6.6700 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -11.3020 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -7.9260 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 2.3220 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 5.5080 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 0.6860 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 1.0180 4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -0.3320 3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 3.3240 4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 3.1850 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 4.4570 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.5730 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -0.2550 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -2.8130 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.5240 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -2.9990 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -3.2980 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -5.2770 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -5.5650 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -10.2480 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -9.7950 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -9.1380 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -6.9210 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -6.9260 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -5.5840 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -11.8340 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -11.4410 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -11.7660 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -6.8870 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 -8.5290 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -8.2530 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.3350 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 2.6810 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 2.9900 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 5.8440 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 6.1780 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 5.6150 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -1.0290 1.0110 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0970 -0.9260 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.6540 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -4.7810 0.1890 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4190 -4.8670 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -5.1520 1.1350 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 61 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 61 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 64 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 64 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 M CHG 1 61 1 M CHG 1 64 1 M END