IBS-ZINC00526887 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 8.2820 4.7580 -5.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5320 4.1020 -4.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 2.7080 -3.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 2.6690 -2.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2670 2.7950 -1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 2.6950 -0.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6810 2.5110 -0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 2.5070 -1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 2.3680 -1.7600 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 2.4200 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 2.4660 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 1.4180 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 0.4460 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 1.8410 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 1.1320 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 1.9120 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 3.3230 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 4.0230 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 3.2350 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6030 3.0270 -2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6620 3.3790 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9230 3.5800 -2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0970 3.4230 -3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9960 3.0680 -4.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7590 2.8670 -3.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 5.7640 -5.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 4.3120 -5.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 4.5960 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6440 2.2320 -4.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9490 2.0710 -4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 3.3190 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 1.5260 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.0500 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 1.4170 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 3.8830 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 5.1040 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5150 3.4960 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7620 3.8560 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0670 3.5720 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0800 2.9300 -5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 3.5690 -0.0550 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9030 4.5180 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 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 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 41 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END