IBS-ZINC05208454 MOE2007 3D Structure written by MMmdl. 45 49 0 0 0 0 0 0 0 0999 V2000 -2.0630 -3.4600 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -2.1140 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -1.7830 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 -0.4020 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 0.4810 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 1.7490 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 2.3020 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 1.4130 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 0.0310 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -1.0260 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 1.8750 -0.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 3.1880 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 3.2000 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 1.1250 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 2.7320 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 3.9150 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 4.8130 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0960 4.5270 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1960 3.3400 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1310 2.4390 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -2.6160 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 -2.3750 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -3.1830 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 -4.2380 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 -4.4910 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 -3.6820 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9390 -5.2330 0.1360 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -3.8990 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -3.4100 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -4.1300 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 3.3710 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 3.9750 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 3.9540 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.0710 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 4.1510 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8680 5.7330 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9270 5.2270 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1060 3.1140 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2240 1.5130 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 -1.5550 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1930 -2.9820 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 -5.3110 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -3.8870 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 1.9180 -0.3950 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9970 1.5940 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 44 1 0 0 0 0 14 34 1 0 0 0 0 14 44 2 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 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 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 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