IFLAB-ZINC04181440 MOE2007 3D Structure written by MMmdl. 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0760 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 3.1630 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 3.8540 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 3.1390 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 1.7470 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 3.8640 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 3.2460 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 5.3420 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 6.0330 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 7.4170 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 8.1200 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 7.4490 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 6.0570 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 5.3320 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 5.9500 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 9.8820 0.0810 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 10.2680 0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 10.3020 0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 10.3800 -1.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 10.5840 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 12.0580 -2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 12.8520 -2.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 10.6180 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 9.3630 -2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 9.1190 -4.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 1.2450 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 3.7060 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 1.1920 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 5.4900 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 7.9510 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 8.0040 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 10.2970 -3.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 9.9710 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 12.1940 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 12.3680 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 13.8000 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 11.4530 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 10.8550 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 9.5080 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 8.5090 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 8.3360 -4.5510 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 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 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 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END