pentane 17 -0.5110000 0.9040000 -0.3450000 -0.5700000 0.9510000 -1.8630000 0.8290000 0.9520000 -2.4790000 0.7650000 1.0000000 -4.0050000 2.1550000 1.0000000 -4.6210000 -1.5170000 0.9040000 0.0870000 0.0340000 1.7660000 0.0530000 0.0010000 -0.0050000 -0.0140000 -1.1370000 0.0870000 -2.2280000 -1.1140000 1.8510000 -2.1740000 1.3710000 0.0520000 -2.1610000 1.3930000 1.8160000 -2.1080000 0.2050000 0.1360000 -4.3820000 0.2280000 1.8990000 -4.3270000 2.1000000 1.0350000 -5.7140000 2.6960000 0.0930000 -4.3370000 2.7350000 1.8630000 -4.2790000