IBS-ZINC05458879 MOE2007 3D Structure written by MMmdl. 45 49 0 0 1 0 0 0 0 0999 V2000 4.1700 8.7910 4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 7.9050 4.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 7.1460 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 7.2640 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 8.1600 2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 8.9180 3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 6.4340 1.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5140 5.9090 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 5.4150 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 4.5870 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2060 3.9020 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 5.4580 -1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 5.1410 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 3.9510 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 4.0290 -4.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 5.2390 -5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 6.4300 -4.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.3350 -3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 6.7250 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 7.3530 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 3.7980 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 4.4130 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 3.6700 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 2.3020 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 1.6840 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 2.4200 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.0040 0.6360 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 9.3790 5.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 7.8050 4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 6.4600 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 8.2750 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 9.6070 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 5.9370 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 4.7610 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 3.0180 -2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 3.1280 -5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 5.2460 -6.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 7.3640 -5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 8.3210 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 5.4800 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 4.1580 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 1.7290 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 1.9130 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 7.2820 -2.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9940 8.2480 -2.5110 H 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 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 44 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END