IBS-ZINC00754661 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 4.9860 9.2420 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 8.7680 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 7.4590 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 6.5790 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 7.0690 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 8.4050 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 6.2030 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 4.9490 2.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 4.4820 1.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 5.2480 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 4.6910 2.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 3.3720 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 2.9700 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.2840 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.0920 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.7060 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 0.4540 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 6.5450 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2220 6.6800 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5770 6.9890 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1080 7.1590 3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2980 7.0200 4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9430 6.7120 4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7760 7.5360 3.2820 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 10.2620 3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 9.4160 3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 7.1470 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 8.8190 3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 5.1900 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 2.6350 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 3.3650 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.7070 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 2.8940 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 1.2740 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 2.0380 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 0.0030 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -0.6880 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.5590 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -1.0410 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 0.6440 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 0.3510 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 6.5400 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2080 7.0890 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7110 7.1450 5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3260 6.5940 4.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 1.6380 0.4600 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0560 1.7020 -0.4040 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END