IBS-ZINC04089687 MOE2007 3D Structure written by MMmdl. 46 50 0 0 1 0 0 0 0 0999 V2000 5.3930 4.4960 -2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 4.9380 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 6.5300 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 6.6510 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 6.3420 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 6.6790 3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 7.3920 4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 7.5410 5.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 6.9930 5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 6.2810 4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 6.1400 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 5.4980 2.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 5.0150 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 5.6120 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 5.0600 0.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2270 5.7010 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 3.6350 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 2.5320 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.4280 0.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 0.4860 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 1.7800 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 3.1570 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 3.7700 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 2.9870 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 1.6150 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.9840 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 4.2310 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 5.2860 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 3.6160 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 4.1420 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 5.8550 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 6.5780 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 7.3220 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 5.9500 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 7.6630 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 7.8240 4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 8.0900 6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 7.1210 6.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 5.8560 5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 2.4360 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 4.8380 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 3.4570 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 1.0240 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -0.0860 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 5.1950 -0.6620 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8610 4.4490 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END