- = 0.18 (0.499992,0.499992,0.499992) H = 0.9, 0.36 (1,1,1) ;H C = 1.5, 0.6 (0.5,0.5,0.5) ;C H16:0.058 1.144 2.043 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H15:1.596 1.16 1.065 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H14:-0.44 2.043 -0.424 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H9:-2.084 -0.104 -0.79 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H8:-2.245 0.803 0.761 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H11:1.421 0.842 -1.563 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H10:-0.038 -0.08 -2.09 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H13:2.203 -0.998 -0.361 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H12:0.765 -1.973 -0.849 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H19:1.006 -1.341 1.795 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H18:-1.278 -1.995 0.455 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H H17:-1.459 -1.031 1.969 ;type=UNK name= num=0 chain= ss= ssid= elem=H aloc=H C7:0.56 0.758 1.127 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C6:-0.259 0.978 -0.157 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C5:-1.55 0.189 0.141 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C4:0.572 0.212 -1.206 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C3:1.089 -1.002 -0.41 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C2:0.489 -0.772 0.991 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C1:-1.031 -1.023 0.939 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C7-H16 C7-H15 C6-C7 C6-H14 C5-H8 C5-C6 C5-H9 C4-C6 C4-H10 C4-H11 C3-H13 C3-C4 C3-H12 C2-H19 C2-C7 C2-C3 C1-H17 C1-C2 C1-C5 C1-H18 ;;start instance definitions here;; ;instancetext:example3\ \ This file contains\ 19 atoms\ 20 bonds