IBS-ZINC05249085 MOE2007 3D Structure written by MMmdl. 54 58 0 0 0 0 0 0 0 0999 V2000 -4.4920 -4.0400 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -2.6010 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -1.6310 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -0.2850 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 0.1180 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -0.8540 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -2.1990 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 1.5890 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 1.8880 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 1.5430 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 1.7240 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 2.2800 3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 3.0840 5.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 3.5080 6.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 4.0610 7.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 4.1760 7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 3.7440 5.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 3.1870 4.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 2.6460 3.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 2.4670 2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 2.8690 2.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2990 2.0090 3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 2.7560 3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 4.2150 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 4.1970 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 1.4160 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 1.1790 2.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 1.0330 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -4.2860 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -4.7020 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -4.2430 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -1.9160 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 0.4440 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -0.5830 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 -2.9320 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 2.0000 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 2.1190 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 3.4120 7.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 4.4130 8.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 4.6150 7.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 3.8450 5.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 1.0140 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 1.8960 4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3990 2.5190 3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 2.5020 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 4.5560 4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 4.8740 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 4.9990 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 4.3160 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 0.0080 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 1.0190 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 1.6730 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 2.5130 4.5880 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0190 2.3140 4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 20 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 26 1 0 0 0 0 12 19 1 0 0 0 0 12 53 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 13 53 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 3 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END