# --------------------------------------------------------------------------
#
# 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 PLPI25.gro
#
#---------------------------------------------------------------------------

data_PLPI25

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

_entry.id	PLPI25

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

_chemical.entry_id	PLPI25
_chemical.name_common	'PLPI25'

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

_chemical_formula.entry_id	PLPI25
_chemical_formula.structural	'C43H81O19P3'

###############
## 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	C	C12	PLPI25	1	1
	-0.06	27.13	62.78
	2	H	H2	PLPI25	1	1
	-1.01	27.56	62.53
	3	O	O2	PLPI25	1	1
	0.57	28.4	62.74
	4	H	HO2	PLPI25	1	1
	-0.11	28.98	63.13
	5	C	C13	PLPI25	1	1
	-0.38	26.59	64.17
	6	H	H3	PLPI25	1	1
	-0.99	25.64	64.1
	7	O	O3	PLPI25	1	1
	-1.16	27.56	64.87
	8	H	HO3	PLPI25	1	1
	-1.53	27.17	65.67
	9	C	C14	PLPI25	1	1
	0.9	26.23	64.82
	10	H	H4	PLPI25	1	1
	1.56	27.13	64.8
	11	O	O4	PLPI25	1	1
	0.63	25.8	66.16
	12	P	P4	PLPI25	1	1
	0.99	26.76	67.45
	13	O	OP42	PLPI25	1	1
	2.48	26.59	67.74
	14	O	OP43	PLPI25	1	1
	0.7	28.23	67.14
	15	O	OP44	PLPI25	1	1
	0.09	26.27	68.56
	16	C	C15	PLPI25	1	1
	1.55	25.14	63.98
	17	H	H5	PLPI25	1	1
	0.82	24.29	63.88
	18	O	O5	PLPI25	1	1
	2.78	24.78	64.61
	19	P	P5	PLPI25	1	1
	2.96	23.31	65.32
	20	O	OP52	PLPI25	1	1
	3.77	23.67	66.66
	21	H	HP52	PLPI25	1	1
	3.92	22.9	67.21
	22	O	OP53	PLPI25	1	1
	3.91	22.69	64.3
	23	O	OP54	PLPI25	1	1
	1.66	22.6	65.58
	24	C	C16	PLPI25	1	1
	1.88	25.65	62.57
	25	H	H6	PLPI25	1	1
	2.55	26.53	62.62
	26	O	O6	PLPI25	1	1
	2.57	24.63	61.87
	27	H	HO6	PLPI25	1	1
	3.24	24.36	62.51
	28	C	C11	PLPI25	1	1
	0.58	26.03	61.89
	29	H	H1	PLPI25	1	1
	-0.06	25.12	61.97
	30	P	P	PLPI25	1	1
	0.14	25.3	59.31
	31	O	O13	PLPI25	1	1
	-1.32	25.4	59.36
	32	O	O14	PLPI25	1	1
	0.76	23.95	59.37
	33	O	O12	PLPI25	1	1
	0.75	26.36	60.49
	34	O	O11	PLPI25	1	1
	0.53	26.15	58.06
	35	C	C1	PLPI25	1	1
	1.88	26.16	57.69
	36	H	HA	PLPI25	1	1
	2.04	25.3	57
	37	H	HB	PLPI25	1	1
	2.58	26.15	58.56
	38	C	C2	PLPI25	1	1
	2.12	27.42	56.91
	39	H	HS	PLPI25	1	1
	1.96	28.29	57.61
	40	O	O21	PLPI25	1	1
	1.24	27.41	55.78
	41	C	C21	PLPI25	1	1
	0.93	28.63	55.39
	42	O	O22	PLPI25	1	1
	1.45	29.63	55.84
	43	C	C22	PLPI25	1	1
	-0.22	28.53	54.39
	44	H	H2R	PLPI25	1	1
	-1.19	28.67	54.9
	45	H	H2S	PLPI25	1	1
	-0.2	27.52	53.92
	46	C	C3	PLPI25	1	1
	3.55	27.43	56.46
	47	H	HX	PLPI25	1	1
	3.67	28.46	56.13
	48	H	HY	PLPI25	1	1
	4.16	27.25	57.36
	49	O	O31	PLPI25	1	1
	3.89	26.45	55.47
	50	C	C31	PLPI25	1	1
	3.82	26.84	54.2
	51	O	O32	PLPI25	1	1
	3.73	27.97	53.77
	52	C	C32	PLPI25	1	1
	3.8	25.59	53.35
	53	H	H2X	PLPI25	1	1
	3.19	24.84	53.89
	54	H	H2Y	PLPI25	1	1
	4.85	25.22	53.27
	55	C	C23	PLPI25	1	1
	-0.06	29.59	53.29
	56	H	H3R	PLPI25	1	1
	1.03	29.45	53.14
	57	H	H3S	PLPI25	1	1
	-0.31	30.59	53.72
	58	C	C24	PLPI25	1	1
	-0.68	29.16	51.96
	59	H	H4R	PLPI25	1	1
	-1.72	28.89	52.16
	60	H	H4S	PLPI25	1	1
	-0.11	28.26	51.63
	61	C	C25	PLPI25	1	1
	-0.91	30.08	50.75
	62	H	H5R	PLPI25	1	1
	-0.29	30.9	50.65
	63	H	H5S	PLPI25	1	1
	-1.79	30.71	50.99
	64	C	C26	PLPI25	1	1
	-1.06	29.32	49.39
	65	H	H6R	PLPI25	1	1
	-1.77	29.96	48.82
	66	H	H6S	PLPI25	1	1
	-1.5	28.37	49.72
	67	C	C27	PLPI25	1	1
	0.08	28.88	48.37
	68	H	H7R	PLPI25	1	1
	0.4	29.62	47.65
	69	H	H7S	PLPI25	1	1
	-0.32	28.36	47.49
	70	C	C28	PLPI25	1	1
	1.4	28.36	48.96
	71	H	H8R	PLPI25	1	1
	1.08	27.41	49.39
	72	H	H8S	PLPI25	1	1
	1.84	28.95	49.79
	73	C	C29	PLPI25	1	1
	2.42	28.26	47.86
	74	H	H91	PLPI25	1	1
	2.83	29.23	47.51
	75	C	C210	PLPI25	1	1
	2.92	27.12	47.38
	76	H	H101	PLPI25	1	1
	3.71	27.15	46.61
	77	C	C211	PLPI25	1	1
	2.58	25.74	47.85
	78	H	H11R	PLPI25	1	1
	2.37	25.77	48.93
	79	H	H11S	PLPI25	1	1
	3.5	25.12	47.79
	80	C	C212	PLPI25	1	1
	1.4	25.12	47.15
	81	H	H121	PLPI25	1	1
	0.44	25.3	47.65
	82	C	C213	PLPI25	1	1
	1.43	24.36	46.04
	83	H	H131	PLPI25	1	1
	0.5	23.91	45.67
	84	C	C214	PLPI25	1	1
	2.69	24.01	45.29
	85	H	H14R	PLPI25	1	1
	2.76	22.9	45.24
	86	H	H14S	PLPI25	1	1
	3.59	24.35	45.85
	87	C	C215	PLPI25	1	1
	2.88	24.62	43.89
	88	H	H15R	PLPI25	1	1
	2.16	24.19	43.17
	89	H	H15S	PLPI25	1	1
	3.91	24.36	43.54
	90	C	C216	PLPI25	1	1
	2.69	26.15	43.85
	91	H	H16R	PLPI25	1	1
	3.37	26.64	44.58
	92	H	H16S	PLPI25	1	1
	1.64	26.38	44.15
	93	C	C217	PLPI25	1	1
	2.94	26.73	42.46
	94	H	H17R	PLPI25	1	1
	2.53	26.05	41.68
	95	H	H17S	PLPI25	1	1
	4.04	26.77	42.31
	96	C	C218	PLPI25	1	1
	2.33	28.12	42.25
	97	H	H18R	PLPI25	1	1
	2.83	28.6	41.38
	98	H	H18S	PLPI25	1	1
	1.23	28.07	42.04
	99	H	H18T	PLPI25	1	1
	2.46	28.74	43.16
	100	C	C33	PLPI25	1	1
	3.22	25.82	51.94
	101	H	H3X	PLPI25	1	1
	3.5	24.96	51.29
	102	H	H3Y	PLPI25	1	1
	3.63	26.73	51.47
	103	C	C34	PLPI25	1	1
	1.7	25.96	51.92
	104	H	H4X	PLPI25	1	1
	1.42	26.22	50.88
	105	H	H4Y	PLPI25	1	1
	1.34	26.79	52.57
	106	C	C35	PLPI25	1	1
	0.99	24.66	52.31
	107	H	H5X	PLPI25	1	1
	0.67	24.72	53.37
	108	H	H5Y	PLPI25	1	1
	1.67	23.79	52.2
	109	C	C36	PLPI25	1	1
	-0.18	24.38	51.38
	110	H	H6X	PLPI25	1	1
	-0.4	23.29	51.39
	111	H	H6Y	PLPI25	1	1
	0.11	24.66	50.34
	112	C	C37	PLPI25	1	1
	-1.43	25.12	51.81
	113	H	H7X	PLPI25	1	1
	-1.27	26.22	51.75
	114	H	H7Y	PLPI25	1	1
	-1.68	24.84	52.87
	115	C	C38	PLPI25	1	1
	-2.58	24.75	50.9
	116	H	H8X	PLPI25	1	1
	-3.51	25.29	51.17
	117	H	H8Y	PLPI25	1	1
	-2.8	23.7	51.07
	118	C	C39	PLPI25	1	1
	-2.21	24.85	49.41
	119	H	H9X	PLPI25	1	1
	-1.68	23.92	49.1
	120	H	H9Y	PLPI25	1	1
	-1.59	25.74	49.22
	121	C	C310	PLPI25	1	1
	-3.46	25.16	48.64
	122	H	H10X	PLPI25	1	1
	-3.77	26.1	49.11
	123	H	H10Y	PLPI25	1	1
	-4.31	24.57	48.95
	124	C	C311	PLPI25	1	1
	-3.37	25.33	47.13
	125	H	H11X	PLPI25	1	1
	-4.45	25.4	46.9
	126	H	H11Y	PLPI25	1	1
	-3	24.46	46.56
	127	C	C312	PLPI25	1	1
	-2.63	26.58	46.67
	128	H	H12X	PLPI25	1	1
	-1.58	26.43	46.97
	129	H	H12Y	PLPI25	1	1
	-3.11	27.41	47.25
	130	C	C313	PLPI25	1	1
	-2.68	26.82	45.15
	131	H	H13X	PLPI25	1	1
	-2.94	27.88	44.91
	132	H	H13Y	PLPI25	1	1
	-3.42	26.08	44.78
	133	C	C314	PLPI25	1	1
	-1.47	26.88	44.26
	134	H	H14X	PLPI25	1	1
	-1.14	25.82	44.24
	135	H	H14Y	PLPI25	1	1
	-0.82	27.64	44.74
	136	C	C315	PLPI25	1	1
	-1.75	27.37	42.83
	137	H	H15X	PLPI25	1	1
	-2.57	26.76	42.62
	138	H	H15Y	PLPI25	1	1
	-1.08	26.98	42.05
	139	C	C316	PLPI25	1	1
	-2.28	28.77	42.52
	140	H	H16X	PLPI25	1	1
	-1.45	29.36	42.71
	141	H	H16Y	PLPI25	1	1
	-2.48	28.9	41.44
	142	H	H16Z	PLPI25	1	1
	-3.16	29.13	43.11

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

_cell.entry_id	PLPI25
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

