IBS-ZINC01242876 MOE2007 3D Structure written by MMmdl. 38 40 0 0 0 0 0 0 0 0999 V2000 0.4430 2.9980 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 4.2980 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 5.4860 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 6.7470 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 5.6970 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 4.4100 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 3.5000 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 2.2010 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 1.2860 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 1.5060 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 0.5940 -2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.5450 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.7860 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.1250 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -1.8950 -2.5780 I 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 4.3290 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 5.6330 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 6.7520 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 7.7150 0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 3.7660 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 7.9430 -0.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 5.4330 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 5.4230 0.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 2.5160 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 2.3310 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 3.1530 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 1.7150 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 2.3800 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 0.7820 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -1.6770 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -0.0780 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 3.2380 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 4.5440 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 3.0680 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 8.8450 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 7.9710 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 6.7930 -0.1590 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7320 7.7100 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 21 1 0 0 0 0 4 37 2 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 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 18 19 3 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 3 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 37 1 M END