IBS-ZINC00520546 MOE2007 3D Structure written by MMmdl. 41 45 0 0 0 0 0 0 0 0999 V2000 -7.7060 6.2160 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2300 5.4040 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 5.1770 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 5.7680 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4400 6.5760 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8130 6.8010 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 5.5060 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 6.3840 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 4.3180 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 4.2340 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 3.3660 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 3.2080 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 1.9980 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 1.2130 -0.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 0.2680 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 1.8970 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 3.1640 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 4.0480 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 3.6460 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 2.3840 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 1.4830 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 7.8180 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 8.5690 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 9.9640 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 10.2000 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 8.7460 -1.0620 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.7740 6.3920 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9290 4.9490 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 4.5430 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 7.0370 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 7.4310 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 1.6230 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 5.0310 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 4.3260 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 2.0910 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 0.4960 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 8.1730 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 10.7520 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 11.1540 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 5.6030 -0.1550 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3910 5.9520 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 22 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 40 2 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END