IBS-ZINC02404229 MOE2007 3D Structure written by MMmdl. 51 55 0 0 0 0 0 0 0 0999 V2000 3.0890 4.6490 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 4.6470 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 5.8690 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 5.9260 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 4.7660 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 3.5520 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 3.4610 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 2.0700 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 1.3500 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 2.2720 0.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 2.0550 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.0460 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -0.6210 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.1500 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 1.4790 -0.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -0.8670 0.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -0.5200 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -0.9570 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -2.6680 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -2.2380 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -2.9340 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 -3.0210 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -4.0280 3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 -4.1000 4.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -3.1690 4.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 -2.1680 3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -2.0930 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 4.3750 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 5.6350 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 3.9390 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 6.7980 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 6.8880 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 4.8130 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -0.3730 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -1.0360 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 0.5450 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -0.3830 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -0.8320 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -2.0950 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -3.7370 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -2.3550 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -2.9130 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 -2.2830 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 -3.9360 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -4.7770 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 -4.8880 5.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5450 -3.2280 5.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9930 -1.4490 3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6530 -1.3050 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -2.4260 1.2510 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7810 -2.9680 2.0350 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 50 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END