IBS-ZINC04815983 MOE2007 3D Structure written by MMmdl. 40 42 0 0 0 0 0 0 0 0999 V2000 -3.1020 0.0430 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -0.2930 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -0.7770 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -2.1070 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -3.3000 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -4.4690 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -4.4360 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.2310 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -2.0820 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -0.0080 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 1.3480 -0.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 1.8940 -1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 3.2900 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 4.0530 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 5.4400 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 6.0890 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 5.3340 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 3.9380 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 3.1550 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 7.5820 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -0.8390 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 0.4070 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 0.8160 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -1.0560 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 0.5920 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -3.3210 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -5.4310 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -5.3730 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -3.1920 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 3.5650 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 6.0110 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 5.8420 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 2.5580 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 3.8140 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 2.4930 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 8.0400 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 7.9690 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 7.8890 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -0.7610 -1.2090 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8660 -0.3770 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 39 2 0 0 0 0 11 12 2 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 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END