MDPI-ZINC03846623 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 52 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6830 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0180 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.6680 3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.0560 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.7650 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0890 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.8340 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1140 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6530 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.0150 -2.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.8140 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.2420 -3.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -3.1290 -4.7510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -4.5060 -4.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9260 -5.0240 -4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -4.3150 -2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -5.2580 -4.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -6.5790 -5.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -7.2270 -5.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -8.5080 -5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -9.1880 -6.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -8.5920 -6.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -7.2710 -5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -6.6240 -5.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -5.3450 -5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -4.6620 -4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -3.3860 -4.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1860 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.0980 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.1200 4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.5790 4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -3.8450 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.8800 -5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -4.7370 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -4.7690 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -6.7120 -4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -9.0040 -5.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -10.2030 -6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -9.1310 -6.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -7.1410 -5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -4.8510 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -2.7140 -4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.5840 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 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 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END