IBS-ZINC06760760 MOE2007 3D Structure written by MMmdl. 54 57 0 0 1 0 0 0 0 0999 V2000 5.4280 2.4980 -4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 3.8610 -3.6430 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8290 4.5420 -4.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 4.4580 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 3.7140 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 3.1080 -2.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4660 2.0540 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3760 3.8200 -3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2580 3.1890 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 4.2330 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 3.7480 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 2.3300 -0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 1.6670 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 2.2550 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 1.4560 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 0.0670 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -0.5220 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.2740 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -1.8800 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -2.6700 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -2.2570 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.7910 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -0.2980 0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -3.2290 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -3.1770 1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -4.0930 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -5.0680 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -5.1330 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -4.2150 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -6.1960 0.7830 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.5760 -4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 2.1040 -4.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 1.7540 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 4.3980 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 5.5010 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 4.7580 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 3.1240 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 4.2310 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6110 2.6500 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 2.7600 -2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 5.3250 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 3.8130 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 4.2290 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 4.0010 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 3.3310 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 1.9230 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -0.1950 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -3.7100 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -2.4180 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -4.0360 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -5.8880 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -4.2730 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 3.7130 -1.1690 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2430 2.7320 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 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 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END