IBS-ZINC02255247 MOE2007 3D Structure written by MMmdl. 45 47 0 0 0 0 0 0 0 0999 V2000 1.1550 10.6380 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 10.5590 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 8.4400 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 7.7290 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 6.2100 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 5.5510 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 4.1640 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 3.4980 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 4.1190 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 3.3630 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 1.9810 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 1.3640 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 2.0950 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 1.4220 0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 2.1410 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 3.4830 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 1.4220 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.1120 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.3980 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 0.0550 -0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -0.6030 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.0220 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 10.4540 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 11.7070 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 10.2310 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 10.1410 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 11.6380 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 10.3370 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 8.1440 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 8.2220 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 7.9960 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 8.0460 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 5.9370 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 5.8980 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 6.0970 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 5.2000 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 3.8530 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 1.3780 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 0.2780 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 3.1950 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 1.9070 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -1.6850 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5810 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 9.9460 0.0490 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8190 10.1340 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 44 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END