IBS-ZINC05354184 MOE2007 3D Structure written by MMmdl. 53 55 0 0 0 0 0 0 0 0999 V2000 1.4160 8.2430 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 7.1120 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 7.1620 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 5.8470 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 5.0740 0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 5.8570 0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 3.6360 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.0890 0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 1.7440 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 0.9290 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 1.5450 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 2.8830 0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 0.8750 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -0.5560 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -0.8690 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 -2.3730 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -2.4740 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -4.0490 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 1.2230 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 0.0240 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -0.4510 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 0.2640 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 1.4570 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 1.9310 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 5.3090 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 8.2090 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 8.2040 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 9.2040 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 8.0390 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -0.1480 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 1.5010 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.9970 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -0.9980 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 -0.3860 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -0.4290 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -2.8880 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -2.7990 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -3.1510 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4710 -2.6960 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 -1.4320 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -4.1100 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 -4.1860 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -4.7820 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -0.5520 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 -1.3770 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 -0.1050 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 2.0250 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 2.8710 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 4.7020 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 6.1250 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 4.7090 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -2.6680 -0.0310 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1540 -2.0120 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 52 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 52 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END