- = 0.29 (0.499992,0.499992,0.499992) N = 1.5, 0.6 (0,0,1) ;N O = 1.4, 0.58 (1,0,0) ;O C = 1.5, 0.6 (0.5,0.5,0.5) ;C E = 1.5, 0.6 (0,0.75,0) ;E C31:0.543 -2.143 -0.039 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C30:0.619 -3.391 -0.661 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C29:-0.24 -3.692 -1.661 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C28:-1.181 -2.798 -2.071 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C27:-1.264 -1.551 -1.428 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C26:-0.4 -1.207 -0.4 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C25:-2.528 -0.335 2.56 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C24:-3.635 -0.369 3.4 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C23:-4.521 0.68 3.385 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C22:-4.339 1.75 2.571 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C21:-3.219 1.792 1.758 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C20:-2.293 0.746 1.715 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C19:-2.475 1.981 -1.696 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C18:-2.914 2.74 -2.757 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C17:-2.046 3.577 -3.4 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C16:-0.749 3.651 -2.975 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C15:-0.307 2.876 -1.92 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C14:-1.156 2.013 -1.239 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C13:2.539 0.069 -1.977 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C12:4.521 -0.009 -0.33 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C11:3.086 0.347 -0.604 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C10:2.368 0.903 0.341 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C9:1.388 0.233 2.62 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C O8:1.337 -0.707 3.29 ;type=UNK name= num=0 chain= ss= ssid= elem=O aloc=O N7:-0.541 0.793 0.432 ;type=UNK name= num=0 chain= ss= ssid= elem=N aloc=Sn E6:1.494 1.675 1.659 ;type=UNK name= num=0 chain= ss= ssid= elem=E aloc=Fe C5:2.704 3.4 1.769 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C4:2.358 2.988 3.039 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C3:1 3.038 3.166 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C2:0.439 3.481 2.016 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C1:1.542 3.692 1.1 ;type=UNK name= num=0 chain= ss= ssid= elem=C aloc=C C30-C31 C29-C30 C28-C29 C27-C28 C26-C31 C26-C27 C24-C25 C23-C24 C22-C23 C21-C22 C20-C25 C20-C21 C18-C19 C17-C18 C16-C17 C15-C16 C14-C15 C14-C19 C11-C12 C11-C13 C10-C11 O8-C9 N7-C14 N7-C20 N7-C26 E6-C9 E6-C10 E6-N7 C4-C5 C3-C4 C2-C3 C1-C2 C1-C5 ;;start instance definitions here;; ;instancetext:Fe(SnPh3)(CO)(=C=CMe2)Cp.pdb\ \ This file contains\ 31 atoms\ 33 bonds ;fexpname:name= ;fexpexpr:Rname= \t