IBS-ZINC05215646 MOE2007 3D Structure written by MMmdl. 41 44 0 0 0 0 0 0 0 0999 V2000 2.3250 4.1170 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 3.3030 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 1.9430 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 1.1690 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 1.7730 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 3.1290 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 3.9200 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 3.4660 0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 4.4040 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 2.3690 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 1.3090 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 0.0690 -0.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -0.0220 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 0.9460 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 2.1890 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 3.1440 0.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 4.1360 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 5.5070 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7010 4.4060 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1320 3.0300 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 6.7000 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 4.5200 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 4.9490 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 3.5070 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.4700 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1140 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 4.9790 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -0.9930 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 3.7850 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 4.2530 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 5.9450 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 6.1910 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1580 4.8470 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7650 4.3300 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 2.4120 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 2.5500 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 6.5300 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1180 7.3200 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6760 7.1570 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5720 5.3710 0.9200 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.0830 4.9620 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 16 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 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 40 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END