# --------------------------------------------------------------------------
#
# 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 PLPI2D.gro
#
#---------------------------------------------------------------------------

data_PLPI2D

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

_entry.id	PLPI2D

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

_chemical.entry_id	PLPI2D
_chemical.name_common	'PLPI2D'

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

_chemical_formula.entry_id	PLPI2D
_chemical_formula.structural	'C43H83O19P3'

###############
## 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	PLPI2D	1	1
	32.19	73.34	62.37
	2	H	H2	PLPI2D	1	1
	31.35	74.06	62.17
	3	O	O2	PLPI2D	1	1
	33.36	73.83	61.68
	4	H	HO2	PLPI2D	1	1
	33.15	74.74	61.45
	5	C	C13	PLPI2D	1	1
	32.27	73.14	63.91
	6	H	H3	PLPI2D	1	1
	31.26	73.03	64.34
	7	O	O3	PLPI2D	1	1
	32.84	74.35	64.21
	8	P	P3	PLPI2D	1	1
	32.77	75.36	65.38
	9	O	OP32	PLPI2D	1	1
	31.3	75.3	65.77
	10	O	OP33	PLPI2D	1	1
	33.81	74.93	66.43
	11	O	OP34	PLPI2D	1	1
	33.2	76.5	64.47
	12	C	C14	PLPI2D	1	1
	33.33	72.26	64.43
	13	H	H4	PLPI2D	1	1
	34.36	72.68	64.25
	14	O	O4	PLPI2D	1	1
	32.99	71.98	65.86
	15	P	P4	PLPI2D	1	1
	31.63	71.96	66.91
	16	O	OP42	PLPI2D	1	1
	32.28	70.83	67.81
	17	H	HP42	PLPI2D	1	1
	32.72	71.41	68.45
	18	O	OP43	PLPI2D	1	1
	30.33	71.25	66.46
	19	O	OP44	PLPI2D	1	1
	31.57	72.97	68.05
	20	C	C15	PLPI2D	1	1
	33.18	70.95	63.74
	21	H	H5	PLPI2D	1	1
	32.34	70.4	64.18
	22	O	O5	PLPI2D	1	1
	34.43	70.26	64
	23	H	HO5	PLPI2D	1	1
	34.18	69.36	64.24
	24	C	C16	PLPI2D	1	1
	33.07	71.05	62.2
	25	H	H6	PLPI2D	1	1
	33.98	71.42	61.7
	26	O	O6	PLPI2D	1	1
	32.77	69.74	61.74
	27	H	HO6	PLPI2D	1	1
	33.07	69.66	60.83
	28	C	C11	PLPI2D	1	1
	31.89	71.97	61.81
	29	H	H1	PLPI2D	1	1
	30.97	71.62	62.32
	30	P	P	PLPI2D	1	1
	30.29	72.45	59.64
	31	O	O13	PLPI2D	1	1
	30.03	73.89	59.85
	32	O	O14	PLPI2D	1	1
	29.29	71.45	60.09
	33	O	O12	PLPI2D	1	1
	31.69	72.01	60.38
	34	O	O11	PLPI2D	1	1
	30.66	72.18	58.1
	35	C	C1	PLPI2D	1	1
	31.96	71.73	57.69
	36	H	HA	PLPI2D	1	1
	32.38	70.95	58.37
	37	H	HB	PLPI2D	1	1
	32.66	72.59	57.67
	38	C	C2	PLPI2D	1	1
	31.97	71.07	56.28
	39	H	HS	PLPI2D	1	1
	31.81	71.89	55.54
	40	O	O21	PLPI2D	1	1
	30.94	70.05	56.19
	41	C	C21	PLPI2D	1	1
	30.47	69.86	54.97
	42	O	O22	PLPI2D	1	1
	30.83	70.46	53.96
	43	C	C22	PLPI2D	1	1
	29.39	68.76	54.96
	44	H	H2R	PLPI2D	1	1
	28.41	69.24	55.11
	45	H	H2S	PLPI2D	1	1
	29.57	68.01	55.75
	46	C	C3	PLPI2D	1	1
	33.39	70.45	56.05
	47	H	HX	PLPI2D	1	1
	34.13	71.23	56.35
	48	H	HY	PLPI2D	1	1
	33.51	69.59	56.75
	49	O	O31	PLPI2D	1	1
	33.59	70	54.7
	50	C	C31	PLPI2D	1	1
	34.7	70.39	54.11
	51	O	O32	PLPI2D	1	1
	35.45	71.25	54.49
	52	C	C32	PLPI2D	1	1
	34.91	69.68	52.81
	53	H	H2X	PLPI2D	1	1
	34	69.63	52.21
	54	H	H2Y	PLPI2D	1	1
	35.44	68.75	53.11
	55	C	C23	PLPI2D	1	1
	29.28	68.06	53.6
	56	H	H3R	PLPI2D	1	1
	29.23	68.8	52.77
	57	H	H3S	PLPI2D	1	1
	28.47	67.33	53.52
	58	C	C24	PLPI2D	1	1
	30.44	67.21	53.32
	59	H	H4R	PLPI2D	1	1
	30.56	66.29	53.93
	60	H	H4S	PLPI2D	1	1
	31.26	67.86	53.72
	61	C	C25	PLPI2D	1	1
	30.42	66.97	51.76
	62	H	H5R	PLPI2D	1	1
	29.49	66.58	51.37
	63	H	H5S	PLPI2D	1	1
	31.06	66.05	51.72
	64	C	C26	PLPI2D	1	1
	30.88	68.27	50.88
	65	H	H6R	PLPI2D	1	1
	31.76	68.85	51.25
	66	H	H6S	PLPI2D	1	1
	30.28	69.13	50.98
	67	C	C27	PLPI2D	1	1
	31.16	68.12	49.38
	68	H	H7R	PLPI2D	1	1
	30.55	67.35	48.89
	69	H	H7S	PLPI2D	1	1
	31.88	67.62	49.93
	70	C	C28	PLPI2D	1	1
	32.35	68.74	48.58
	71	H	H8R	PLPI2D	1	1
	32.7	68.12	47.73
	72	H	H8S	PLPI2D	1	1
	33.27	68.96	49.18
	73	C	C29	PLPI2D	1	1
	31.56	69.87	48.08
	74	H	H91	PLPI2D	1	1
	30.55	69.59	47.77
	75	C	C210	PLPI2D	1	1
	32.01	71.12	47.98
	76	H	H101	PLPI2D	1	1
	31.36	71.88	47.55
	77	C	C211	PLPI2D	1	1
	33.37	71.58	48.36
	78	H	H11R	PLPI2D	1	1
	33.6	71.39	49.44
	79	H	H11S	PLPI2D	1	1
	33.4	72.69	48.26
	80	C	C212	PLPI2D	1	1
	34.35	70.86	47.45
	81	H	H121	PLPI2D	1	1
	35.02	70.2	48.01
	82	C	C213	PLPI2D	1	1
	34.7	71.18	46.2
	83	H	H131	PLPI2D	1	1
	35.67	70.75	45.86
	84	C	C214	PLPI2D	1	1
	34.23	72.36	45.37
	85	H	H14R	PLPI2D	1	1
	33.76	73.16	45.98
	86	H	H14S	PLPI2D	1	1
	33.48	71.88	44.73
	87	C	C215	PLPI2D	1	1
	35.19	73.09	44.4
	88	H	H15R	PLPI2D	1	1
	36.14	73.45	44.79
	89	H	H15S	PLPI2D	1	1
	34.75	73.95	43.88
	90	C	C216	PLPI2D	1	1
	35.76	72.14	43.49
	91	H	H16R	PLPI2D	1	1
	35.04	71.46	43.02
	92	H	H16S	PLPI2D	1	1
	36.35	71.57	44.23
	93	C	C217	PLPI2D	1	1
	36.61	72.72	42.45
	94	H	H17R	PLPI2D	1	1
	37.53	73.09	43.02
	95	H	H17S	PLPI2D	1	1
	36.3	73.58	41.85
	96	C	C218	PLPI2D	1	1
	36.55	71.49	41.52
	97	H	H18R	PLPI2D	1	1
	36.26	71.39	40.52
	98	H	H18S	PLPI2D	1	1
	37.49	71.47	41.16
	99	H	H18T	PLPI2D	1	1
	36.78	70.49	41.77
	100	C	C33	PLPI2D	1	1
	35.97	70.1	51.88
	101	H	H3X	PLPI2D	1	1
	36.83	69.99	52.56
	102	H	H3Y	PLPI2D	1	1
	35.91	71.16	51.59
	103	C	C34	PLPI2D	1	1
	35.98	69.14	50.66
	104	H	H4X	PLPI2D	1	1
	36.87	69.37	50.15
	105	H	H4Y	PLPI2D	1	1
	35.19	69.35	49.93
	106	C	C35	PLPI2D	1	1
	36.47	67.69	50.75
	107	H	H5X	PLPI2D	1	1
	35.74	67.24	51.4
	108	H	H5Y	PLPI2D	1	1
	37.47	67.6	51.24
	109	C	C36	PLPI2D	1	1
	36.54	66.92	49.41
	110	H	H6X	PLPI2D	1	1
	35.49	66.76	49.09
	111	H	H6Y	PLPI2D	1	1
	36.99	65.93	49.63
	112	C	C37	PLPI2D	1	1
	37.35	67.59	48.29
	113	H	H7X	PLPI2D	1	1
	38.42	67.67	48.5
	114	H	H7Y	PLPI2D	1	1
	36.88	68.51	48
	115	C	C38	PLPI2D	1	1
	37.26	66.99	46.93
	116	H	H8X	PLPI2D	1	1
	37.56	65.95	47.21
	117	H	H8Y	PLPI2D	1	1
	37.92	67.36	46.13
	118	C	C39	PLPI2D	1	1
	35.87	67.28	46.36
	119	H	H9X	PLPI2D	1	1
	35.3	68.16	46.64
	120	H	H9Y	PLPI2D	1	1
	35.38	66.55	47.06
	121	C	C310	PLPI2D	1	1
	35.74	67.18	44.79
	122	H	H10X	PLPI2D	1	1
	34.72	66.84	44.47
	123	H	H10Y	PLPI2D	1	1
	36.51	66.5	44.35
	124	C	C311	PLPI2D	1	1
	35.52	68.39	43.98
	125	H	H11X	PLPI2D	1	1
	36.39	68.98	44.22
	126	H	H11Y	PLPI2D	1	1
	34.58	68.83	44.38
	127	C	C312	PLPI2D	1	1
	35.47	68.11	42.47
	128	H	H12X	PLPI2D	1	1
	36.37	67.54	42.16
	129	H	H12Y	PLPI2D	1	1
	35.46	69.1	41.99
	130	C	C313	PLPI2D	1	1
	34.31	67.31	41.93
	131	H	H13X	PLPI2D	1	1
	34.23	66.31	42.42
	132	H	H13Y	PLPI2D	1	1
	34.5	67.07	40.85
	133	C	C314	PLPI2D	1	1
	32.97	68.03	42.04
	134	H	H14X	PLPI2D	1	1
	32.36	67.67	42.91
	135	H	H14Y	PLPI2D	1	1
	32.68	67.66	41.04
	136	C	C315	PLPI2D	1	1
	32.7	69.49	41.68
	137	H	H15X	PLPI2D	1	1
	33.22	69.68	40.71
	138	H	H15Y	PLPI2D	1	1
	33.13	70.14	42.46
	139	C	C316	PLPI2D	1	1
	31.21	69.85	41.49
	140	H	H16X	PLPI2D	1	1
	30.68	69.14	40.83
	141	H	H16Y	PLPI2D	1	1
	30.66	69.86	42.45
	142	H	H16Z	PLPI2D	1	1
	31.14	70.86	41.02

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

_cell.entry_id	PLPI2D
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

