MDPI-ZINC04235540 MOE2007 3D Structure written by MMmdl. 40 41 0 0 0 0 0 0 0 0999 V2000 0.7860 -2.3260 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -2.7990 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -3.8840 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -4.3750 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -3.7900 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -2.7120 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -2.1910 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -1.0990 -0.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -0.2070 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 0.0810 2.1720 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 0.7860 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.8430 -0.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 2.0520 -0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 3.1340 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 3.3910 -1.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 0.5090 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -0.7550 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -0.9880 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 0.0330 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 1.2920 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 1.5310 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.2710 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -2.8860 -3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -2.4640 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -4.3590 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -5.2140 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -4.1770 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -2.3330 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.9430 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 1.4780 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 2.8080 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 4.1870 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -1.5830 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -1.9700 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 -0.1530 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 2.0890 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 2.5250 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 3.7080 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 3.9430 -1.9450 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1650 4.7500 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 39 2 0 0 0 0 15 31 1 0 0 0 0 15 32 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 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END