IBS-ZINC00517679 MOE2007 3D Structure written by MMmdl. 36 38 0 0 0 0 0 0 0 0999 V2000 -0.5300 7.7420 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 6.2360 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 5.6310 1.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 5.5650 -0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 4.2110 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 3.4720 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 2.1100 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.4560 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 2.1930 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 3.5780 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 1.5510 -0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 0.2180 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -0.5860 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -0.0120 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -0.7070 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -1.9350 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -2.4390 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -2.9900 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.4960 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 -3.4630 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 -2.9200 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 -2.4080 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 -4.0120 -0.3850 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3410 -3.9840 0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 -4.4900 -1.4360 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2740 8.1230 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 8.1050 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 8.0890 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 3.9790 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 1.5410 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 4.1580 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.2330 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -3.0190 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -3.9210 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 -2.8960 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -1.9830 1.9460 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 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 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END