IBS-ZINC06671925 MOE2007 3D Structure written by MMmdl. 55 57 0 0 1 0 0 0 0 0999 V2000 1.7020 2.1280 4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 1.3730 3.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 1.9700 3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 0.1280 3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.4660 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -1.7260 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -2.4510 2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 -1.8800 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -0.6200 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -3.7930 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -4.9850 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -4.7290 -2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -6.0500 -3.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9960 -6.6540 -2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -6.8200 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -8.1100 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -8.8270 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -8.2590 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -6.9890 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -6.2710 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -8.9470 -1.3630 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -5.8850 -4.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -4.7390 -5.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -4.6480 -6.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -5.7020 -7.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -6.8500 -6.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -6.9410 -5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -5.5870 -9.1070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 1.5670 5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 3.0830 4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 2.3610 3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 2.1240 2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 2.9500 4.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 1.3370 4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 0.0410 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -2.1260 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -2.4040 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -0.2370 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -4.4300 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -4.3060 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -5.5960 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -5.4500 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -4.0710 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -4.1830 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -8.5710 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -9.8230 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -6.5690 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -5.2840 -3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -3.9040 -4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -3.7540 -7.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -7.6780 -7.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -7.8510 -4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -3.6760 -0.0940 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5500 -3.1830 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -3.0610 -0.2300 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 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 48 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 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 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 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 1 53 1 M END