- = 0.18 (0.499992,0.499992,0.499992)
O = 1.4, 0.58 (1,0,0) ;O
H = 0.9, 0.36 (1,1,1) ;H
C = 1.5, 0.6 (0.5,0.5,0.5) ;C
H45:-0.979 -1.176 3.684 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H44:-4.71 0.189 2.707 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H43:-4.159 -0.104 -0.041 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H42:-1.138 2.578 -2.959 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H41:-2.964 1.864 -1.657 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H40:-1.962 3.102 -0.851 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H39:-0.685 -2.836 0.06 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H38:2.511 -0.188 3.097 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H37:4.441 -0.641 -0.92 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H36:5.879 -2.443 2.375 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H35:3.807 -1.926 3.611 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H34:3.321 -3.626 3.486 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
O33:-1.096 -0.19 4.027 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O32:-3.816 0.466 3.183 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O31:-4.207 0.882 0.314 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O30:-0.904 1.923 -2.173 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C29:-1.998 2.07 -1.194 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O28:0.242 -3.076 -0.372 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O27:2.579 0.469 2.282 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O26:4.102 -1.521 -0.458 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O25:5.311 -3.228 2.781 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C24:3.862 -2.819 2.989 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
H23:4.532 -0.796 1.5 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H22:3.374 -3.389 0.958 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H21:2.456 0.4 0.146 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H20:2.039 -2.099 -0.902 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H19:0.58 -1.102 -1.086 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H18:-1.452 1.757 3.255 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H17:-2.619 -0.69 1.87 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H16:-3.033 2.285 1.347 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H15:-1.668 0.153 -0.335 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
C14:3.694 -1.234 0.957 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C13:3.195 -2.544 1.624 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O12:1.716 -2.382 1.846 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C11:2.471 -0.289 0.991 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C  TASOS	
C10:1.08 -1.839 -0.458 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C9:1.268 -1.259 0.961 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O8:-0.07 -0.757 1.449 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
H7:0.663 1.023 2.398 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
O6:-0.485 1.553 0.704 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C5:-0.218 0.668 1.879 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C4:-1.373 0.737 2.882 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C3:-2.689 0.344 2.205 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C2:-2.934 1.259 0.995 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C1:-1.757 1.179 0.017 ;type=UNK	name= 	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O33-H45
O32-H44
O31-H43
O30-H42
C29-H40
C29-O30
C29-H41
O28-H39
O27-H38
O26-H37
O25-H36
C24-H35
C24-H34
C24-O25
C14-H23
C14-O26
C13-C24
C13-C14
C13-H22
O12-C13
C11-O27
C11-H21
C11-C14
C10-O28
C10-H19
C10-H20
C9-O12
C9-C11
C9-C10
O8-C9
C5-H7
C5-O6
C5-O8
C4-O33
C4-H18
C4-C5
C3-O32
C3-C4
C3-H17
C2-C3
C2-H16
C2-O31
C1-C2
C1-O6
C1-C29
C1-H15
;;start instance definitions here;;
;instancetext:SUCROSE example_mcm chemdig rzepa \
\
This file contains\
	45 atoms
	46 bonds