- = 0.18 (0.499992,0.499992,0.499992)
N = 1.5, 0.6 (0,0,1) ;N
P = 2.1, 0.74 (0.85,0.85,0.5) ;P
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
H84:-10.69 0.231 6.665 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H83:-8.971 -0.219 6.692 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H82:-9.482 1.374 7.291 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H81:-12.727 1.754 4.423 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H80:-12.043 0.942 5.848 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H79:-12.036 2.716 5.748 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H78:-6.342 3.62 -2.089 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H77:-7.405 0.694 5.05 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H76:-11.277 2.728 2.712 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H75:-3.987 0.394 0.586 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H74:-5.911 0.005 3.541 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H73:-5.482 1.594 4.211 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H72:-2.226 0.893 4.726 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H71:-4.281 2.143 2.108 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H70:-1.558 -0.135 0.369 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H69:-3.469 -0.522 3.342 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H68:-1.852 1.615 1.89 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H67:-1.04 -1.051 3.124 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H66:-0.633 0.555 3.767 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H65:11.383 5.89 0.592 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H64:11.93 6.447 -0.861 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H63:6.388 -2.479 1.99 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H62:6.795 -0.874 2.632 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H61:9.481 -3.689 1.023 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H60:11.947 -0.915 0.883 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H59:11.128 3.215 -3.873 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H58:9.182 2.007 2.286 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H57:8.895 -1.975 2.254 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H56:10.229 -0.131 1.863 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H55:7.251 -1.851 -0.179 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
H54:9.346 -0.085 -1.05 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=H	aloc=H	
N53:11.154 6.011 -0.384 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=N	aloc=N	
C52:10.894 4.76 -0.961 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
N51:11.153 4.549 -2.259 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=N	aloc=N	
C50:10.91 3.359 -2.825 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
N49:10.401 2.346 -2.111 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=N	aloc=N	
C48:10.121 2.493 -0.809 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C47:10.362 3.723 -0.185 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
N46:10.001 3.613 1.101 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=N	aloc=N	
C45:9.541 2.376 1.336 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
N44:9.604 1.652 0.16 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=N	aloc=N	
O43:4.462 -0.282 3.494 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O42:3.904 -2.509 2.64 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O41:-4.193 2.625 -1.09 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O40:-8.753 3.827 -1.179 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C39:-8.088 1.671 3.257 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C38:-8.248 1.137 4.541 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C37:-9.673 0.6 6.55 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C36:-9.501 1.177 5.165 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C35:-11.944 1.794 5.178 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C34:-10.593 1.751 4.505 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C33:-10.434 2.285 3.221 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C32:-9.181 2.245 2.597 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
N31:-9.031 2.757 1.368 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=N	aloc=N	
C30:-7.85 2.74 0.734 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C29:-7.704 3.278 -0.55 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
N28:-6.465 3.236 -1.163 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=N	aloc=N	
C27:-5.394 2.666 -0.499 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
N26:-5.546 2.154 0.731 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=N	aloc=N	
C25:-6.731 2.176 1.356 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
N24:-6.858 1.64 2.625 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=N	aloc=N	
C23:-5.695 1.043 3.297 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O22:-4.752 0.358 1.181 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C21:-4.483 1.107 2.37 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O20:-2.997 1.263 4.268 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C19:-3.267 0.514 3.08 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O18:-2.323 -0.17 0.964 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C17:-2.054 0.578 2.152 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C16:-0.838 -0.014 2.862 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O15:0.297 0.045 1.994 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O14:1.338 -2.015 3.032 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
O13:1.898 0.212 3.885 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
P12:1.584 -0.55 2.667 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=P	aloc=P	
O11:2.79 -0.455 1.666 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
P10:4.112 -1.036 2.281 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=P	aloc=P	
O9:5.275 -0.912 1.234 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C8:6.51 -1.427 1.74 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O7:11.179 -1.15 0.339 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C6:9.982 -0.653 0.941 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O5:9.347 -2.932 0.43 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C4:8.962 -1.781 1.186 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
C3:7.598 -1.278 0.678 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
O2:7.824 0.093 0.342 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=O	aloc=O	
C1:9.197 0.252 -0.027 ;type=PEP	name=ÿÁ	num=1	chain= 	ss=	ssid=	elem=C	aloc=C	
N53-H65
N53-H64
C52-N53
N51-C52
C50-N51
C50-H59
N49-C50
C48-N49
C47-C52
C47-C48
N46-C47
C45-H58
C45-N46
N44-C45
N44-C48
C38-H77
C38-C39
C37-H82
C37-H83
C37-H84
C36-C37
C36-C38
C35-H80
C35-H79
C35-H81
C34-C35
C34-C36
C33-C34
C33-H76
C32-C39
C32-C33
N31-C32
C30-N31
C29-C30
C29-O40
N28-C29
N28-H78
C27-O41
C27-N28
N26-C27
C25-N26
C25-C30
N24-C39
N24-C25
C23-H73
C23-H74
C23-N24
O22-H75
C21-C23
C21-H71
C21-O22
O20-H72
C19-O20
C19-H69
C19-C21
O18-H70
C17-C19
C17-H68
C17-O18
C16-H66
C16-H67
C16-C17
O15-C16
P12-O13
P12-O14
P12-O15
O11-P12
P10-O43
P10-O42
P10-O11
O9-P10
C8-H62
C8-H63
C8-O9
O7-H60
C6-H56
C6-O7
O5-H61
C4-H57
C4-C6
C4-O5
C3-C8
C3-C4
C3-H55
O2-C3
C1-C6
C1-O2
C1-N44
C1-H54
;;start instance definitions here;;
;instancetext: \
\
This file contains\
	84 atoms\
	89 bonds