IBS-ZINC00521616 MOE2007 3D Structure written by MMmdl. 48 49 0 0 0 0 0 0 0 0999 V2000 4.4540 7.9130 -4.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 7.2380 -3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 6.9630 -1.9170 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4040 8.2810 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 6.0460 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 6.2720 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 5.8850 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 5.3190 0.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 6.2220 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 6.1930 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 5.4470 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 5.3900 3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 6.0800 4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 6.8280 3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 6.8830 2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 6.0050 5.8640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 3.9600 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 3.2620 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 1.8880 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 1.2220 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 1.9480 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 8.8990 -3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 7.3050 -3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 8.0630 -5.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 6.2700 -3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 7.8650 -3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 8.0700 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 8.7480 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 8.9250 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 5.1200 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 6.5530 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 5.8420 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 5.3740 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 6.9630 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 6.7620 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 5.1700 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 7.2540 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 5.9710 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 4.9040 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 4.8090 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 7.3700 4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 7.4710 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 3.7760 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 1.3420 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 0.1530 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.5060 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 3.2670 1.1270 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4730 3.8020 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 47 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 3 1 M CHG 1 47 1 M END