IBS-ZINC05215450 MOE2007 3D Structure written by MMmdl. 52 55 0 0 0 0 0 0 0 0999 V2000 0.9960 7.5520 5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 8.7660 6.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 8.9780 6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 7.9730 5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 6.7540 5.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 6.5350 5.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 5.2270 4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 4.6700 3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 3.4950 3.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 2.7590 3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 3.2170 5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 4.5120 5.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 4.9640 6.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 2.4540 5.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 1.2580 5.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 0.7980 4.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.5440 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 1.0350 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 1.2400 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 1.6810 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 3.3860 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 2.9450 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 3.5910 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 5.0580 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 5.8500 -2.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -0.3920 3.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 10.5090 6.8650 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 7.3880 5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 9.5530 6.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 8.1440 6.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 5.9710 5.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 5.1980 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 2.8080 6.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 0.6670 5.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -0.0550 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 1.4010 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 0.1720 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 1.7920 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 1.5060 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 1.1090 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 4.4530 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 2.8340 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 3.5170 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 3.1200 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 3.4990 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 2.9930 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 5.4000 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 5.1560 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 6.7940 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -1.1480 3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 1.5000 1.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 3.1260 -1.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 51 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 52 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 52 1 0 0 0 0 24 25 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 26 50 1 0 0 0 0 M END