# --------------------------------------------------------------------------
#
# CIF file generated by openbabel 2.3.2 http://openbabel.org/
# to comply with the Macromolecular CIF Dictionary  (cif_mm.dic) version  2.0.11 http://mmcif.pdb.org/
# The contents of this file were derived from PLPE.gro
#
#---------------------------------------------------------------------------

data_PLPE

###########
## ENTRY ##
###########

_entry.id	PLPE

##############
## CHEMICAL ##
##############

_chemical.entry_id	PLPE
_chemical.name_common	'PLPE'

######################
## CHEMICAL FORMULA ##
######################

_chemical_formula.entry_id	PLPE
_chemical_formula.structural	'C39H79NO8P'

###############
## ATOM_SITE ##
###############

loop_
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_comp_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
	1	N	N	PLPE	1	1
	44.21	33.55	54.69
	2	H	HN1	PLPE	1	1
	43.38	33.71	54.09
	3	H	HN2	PLPE	1	1
	45.07	33.67	54.14
	4	H	HN3	PLPE	1	1
	44.13	32.55	55.03
	5	C	C12	PLPE	1	1
	44.14	34.49	55.86
	6	H	H12A	PLPE	1	1
	43.87	35.51	55.52
	7	H	H12B	PLPE	1	1
	45.14	34.46	56.34
	8	C	C11	PLPE	1	1
	43.15	33.95	56.85
	9	H	H11A	PLPE	1	1
	42.14	33.8	56.41
	10	H	H11B	PLPE	1	1
	42.99	34.67	57.67
	11	P	P	PLPE	1	1
	43.51	31.32	56.85
	12	O	O13	PLPE	1	1
	44.61	31.22	55.88
	13	O	O14	PLPE	1	1
	43.25	30.41	57.97
	14	O	O12	PLPE	1	1
	43.69	32.77	57.44
	15	O	O11	PLPE	1	1
	42.22	31.58	56.03
	16	C	C1	PLPE	1	1
	40.95	31.02	56.31
	17	H	HA	PLPE	1	1
	40.43	31.58	57.11
	18	H	HB	PLPE	1	1
	40.99	30.12	56.94
	19	C	C2	PLPE	1	1
	40	30.97	55.03
	20	H	HS	PLPE	1	1
	39	30.51	55.1
	21	O	O21	PLPE	1	1
	40.51	30.65	53.75
	22	C	C21	PLPE	1	1
	39.63	30.65	52.73
	23	O	O22	PLPE	1	1
	38.42	30.65	52.82
	24	C	C22	PLPE	1	1
	40.42	30.66	51.44
	25	H	H2R	PLPE	1	1
	39.99	29.87	50.82
	26	H	H2S	PLPE	1	1
	40.22	31.59	50.88
	27	C	C3	PLPE	1	1
	39.66	32.28	55.07
	28	H	HX	PLPE	1	1
	38.63	32.36	54.63
	29	H	HY	PLPE	1	1
	39.26	32.49	56.13
	30	O	O31	PLPE	1	1
	40.83	33.12	54.6
	31	C	C31	PLPE	1	1
	41.16	33.46	53.3
	32	O	O32	PLPE	1	1
	40.63	33.1	52.31
	33	C	C32	PLPE	1	1
	42.06	34.69	53.25
	34	H	H2X	PLPE	1	1
	43	34.24	52.98
	35	H	H2Y	PLPE	1	1
	41.98	35.29	54.18
	36	C	C23	PLPE	1	1
	41.94	30.5	51.63
	37	H	H3R	PLPE	1	1
	42.03	29.48	52.07
	38	H	H3S	PLPE	1	1
	42.39	31.19	52.38
	39	C	C24	PLPE	1	1
	42.64	30.63	50.25
	40	H	H4R	PLPE	1	1
	43.73	30.55	50.38
	41	H	H4S	PLPE	1	1
	42.48	31.66	49.88
	42	C	C25	PLPE	1	1
	42.06	29.6	49.25
	43	H	H5R	PLPE	1	1
	41.12	30.05	48.93
	44	H	H5S	PLPE	1	1
	41.85	28.64	49.78
	45	C	C26	PLPE	1	1
	42.69	29.27	47.9
	46	H	H6R	PLPE	1	1
	43.54	28.68	47.92
	47	H	H6S	PLPE	1	1
	43.24	30.08	47.41
	48	C	C27	PLPE	1	1
	42.26	27.92	47.31
	49	H	H7R	PLPE	1	1
	42.4	27.09	48.06
	50	H	H7S	PLPE	1	1
	42.83	27.61	46.41
	51	C	C28	PLPE	1	1
	40.94	27.96	46.68
	52	H	H8R	PLPE	1	1
	40.29	28.11	47.56
	53	H	H8S	PLPE	1	1
	40.75	26.97	46.23
	54	C	C29	PLPE	1	1
	41.04	29.04	45.61
	55	H	H9R	PLPE	1	1
	41.66	28.76	44.75
	56	C	C210	PLPE	1	1
	40.51	30.27	45.69
	57	H	H10R	PLPE	1	1
	40.3	30.81	44.76
	58	C	C211	PLPE	1	1
	39.74	30.71	46.9
	59	H	H11R	PLPE	1	1
	40.4	31.3	47.55
	60	H	H11S	PLPE	1	1
	39.72	29.89	47.57
	61	C	C212	PLPE	1	1
	38.34	31.23	46.95
	62	H	H12R	PLPE	1	1
	37.45	30.66	46.72
	63	C	C213	PLPE	1	1
	38.07	32.44	47.17
	64	H	H13R	PLPE	1	1
	37.14	32.74	46.61
	65	C	C214	PLPE	1	1
	39.32	33.34	47.31
	66	H	H14R	PLPE	1	1
	40.29	33.05	46.83
	67	H	H14S	PLPE	1	1
	39.27	34.02	48.17
	68	C	C215	PLPE	1	1
	39.23	34.23	46.16
	69	H	H15R	PLPE	1	1
	38.72	34.87	46.73
	70	H	H15S	PLPE	1	1
	38.53	33.73	45.6
	71	C	C216	PLPE	1	1
	39.97	35.34	45.39
	72	H	H16R	PLPE	1	1
	40.65	34.79	44.74
	73	H	H16S	PLPE	1	1
	40.65	35.62	46.18
	74	C	C217	PLPE	1	1
	39.18	36.57	44.48
	75	H	H17R	PLPE	1	1
	39.97	36.61	43.99
	76	H	H17S	PLPE	1	1
	38.94	37.55	44.88
	77	C	C218	PLPE	1	1
	38.39	36.76	43.1
	78	H	H18R	PLPE	1	1
	39.05	36.19	42.42
	79	H	H18S	PLPE	1	1
	38.19	37.79	42.82
	80	H	H18T	PLPE	1	1
	37.58	36.19	42.69
	81	C	C33	PLPE	1	1
	42.22	35.69	52.09
	82	H	H3X	PLPE	1	1
	43.13	36.3	52.22
	83	H	H3Y	PLPE	1	1
	41.42	36.33	52.32
	84	C	C34	PLPE	1	1
	41.97	35.44	50.61
	85	H	H4X	PLPE	1	1
	41.8	36.27	49.9
	86	H	H4Y	PLPE	1	1
	41.13	34.85	50.3
	87	C	C35	PLPE	1	1
	43.14	34.89	50.08
	88	H	H5X	PLPE	1	1
	43.36	34.14	50.87
	89	H	H5Y	PLPE	1	1
	43.85	35.76	50.05
	90	C	C36	PLPE	1	1
	42.56	34.35	48.81
	91	H	H6X	PLPE	1	1
	42.12	35.1	48.13
	92	H	H6Y	PLPE	1	1
	41.74	33.62	49.01
	93	C	C37	PLPE	1	1
	43.71	33.74	48.19
	94	H	H7X	PLPE	1	1
	44.07	32.99	48.93
	95	H	H7Y	PLPE	1	1
	44.47	34.55	48.05
	96	C	C38	PLPE	1	1
	43.34	33.12	46.89
	97	H	H8X	PLPE	1	1
	43.04	33.94	46.21
	98	H	H8Y	PLPE	1	1
	42.47	32.43	46.98
	99	C	C39	PLPE	1	1
	44.61	32.39	46.5
	100	H	H9X	PLPE	1	1
	44.85	31.61	47.27
	101	H	H9Y	PLPE	1	1
	45.45	33.11	46.44
	102	C	C310	PLPE	1	1
	44.47	31.66	45.22
	103	H	H10X	PLPE	1	1
	43.68	30.88	45.32
	104	H	H10Y	PLPE	1	1
	45.42	31.2	44.89
	105	C	C311	PLPE	1	1
	44.02	32.58	44.17
	106	H	H11X	PLPE	1	1
	44.89	33.18	43.77
	107	H	H11Y	PLPE	1	1
	43.23	33.33	44.43
	108	C	C312	PLPE	1	1
	43.51	31.61	43.11
	109	H	H12X	PLPE	1	1
	44.32	31.07	42.58
	110	H	H12Y	PLPE	1	1
	43.3	32.61	42.76
	111	C	C313	PLPE	1	1
	42.1	30.95	42.98
	112	H	H13X	PLPE	1	1
	41.41	31.59	43.53
	113	H	H13Y	PLPE	1	1
	42.28	29.93	43.37
	114	C	C314	PLPE	1	1
	41.37	30.72	41.63
	115	H	H14X	PLPE	1	1
	41.85	29.9	41.05
	116	H	H14Y	PLPE	1	1
	41.16	31.59	40.98
	117	C	C315	PLPE	1	1
	40.02	30.13	41.59
	118	H	H15X	PLPE	1	1
	39.25	30.65	42.17
	119	H	H15Y	PLPE	1	1
	40.15	29.16	42.13
	120	C	C316	PLPE	1	1
	39.71	30.07	40.07
	121	H	H16X	PLPE	1	1
	40.52	29.86	39.36
	122	H	H16Y	PLPE	1	1
	38.94	29.28	39.96
	123	H	H16Z	PLPE	1	1
	39.4	30.97	39.54

##########
## CELL ##
##########

_cell.entry_id	PLPE
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

