# --------------------------------------------------------------------------
#
# 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 PLPI2B.gro
#
#---------------------------------------------------------------------------

data_PLPI2B

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

_entry.id	PLPI2B

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

_chemical.entry_id	PLPI2B
_chemical.name_common	'PLPI2B'

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

_chemical_formula.entry_id	PLPI2B
_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	PLPI2B	1	1
	55.43	67.16	61.99
	2	H	H2	PLPI2B	1	1
	55.7	67.87	61.14
	3	O	O2	PLPI2B	1	1
	56.01	65.9	62.02
	4	H	HO2	PLPI2B	1	1
	56.33	65.77	61.13
	5	C	C13	PLPI2B	1	1
	55.85	67.97	63.18
	6	H	H3	PLPI2B	1	1
	55.29	68.99	63.1
	7	O	O3	PLPI2B	1	1
	57.44	67.64	63.29
	8	P	P3	PLPI2B	1	1
	58.84	66.37	63.6
	9	O	OP32	PLPI2B	1	1
	60.2	66.82	63.03
	10	O	OP33	PLPI2B	1	1
	58.94	66.38	65.1
	11	O	OP34	PLPI2B	1	1
	58.84	64.85	63.25
	12	C	C14	PLPI2B	1	1
	55.09	67.37	64.3
	13	H	H4	PLPI2B	1	1
	55.68	66.5	64.59
	14	O	O4	PLPI2B	1	1
	55.27	68.28	65.43
	15	H	HO4	PLPI2B	1	1
	55.1	67.75	66.22
	16	C	C15	PLPI2B	1	1
	53.43	67.18	63.91
	17	H	H5	PLPI2B	1	1
	52.9	68.11	63.69
	18	O	O5	PLPI2B	1	1
	52.37	66.6	64.64
	19	P	P5	PLPI2B	1	1
	53.14	66.26	65.85
	20	O	OP52	PLPI2B	1	1
	54.32	65.55	66.46
	21	H	HP52	PLPI2B	1	1
	53.58	64.91	66.56
	22	O	OP53	PLPI2B	1	1
	52.66	67.51	66.54
	23	O	OP54	PLPI2B	1	1
	52.65	64.93	65.35
	24	C	C16	PLPI2B	1	1
	53.29	66.2	62.71
	25	H	H6	PLPI2B	1	1
	53.89	65.26	62.92
	26	O	O6	PLPI2B	1	1
	51.95	65.78	62.29
	27	H	HO6	PLPI2B	1	1
	51.91	64.84	62.49
	28	C	C11	PLPI2B	1	1
	53.94	66.94	61.61
	29	H	H1	PLPI2B	1	1
	53.3	67.85	61.49
	30	P	P	PLPI2B	1	1
	53.74	66.62	58.96
	31	O	O13	PLPI2B	1	1
	54.91	67.46	58.73
	32	O	O14	PLPI2B	1	1
	52.4	67.2	58.74
	33	O	O12	PLPI2B	1	1
	53.88	66.07	60.47
	34	O	O11	PLPI2B	1	1
	53.88	65.29	58.12
	35	C	C1	PLPI2B	1	1
	54.09	64	58.71
	36	H	HA	PLPI2B	1	1
	53.13	63.59	59.08
	37	H	HB	PLPI2B	1	1
	54.75	64.05	59.61
	38	C	C2	PLPI2B	1	1
	54.76	63	57.71
	39	H	HS	PLPI2B	1	1
	55.08	62.09	58.27
	40	O	O21	PLPI2B	1	1
	55.89	63.57	57.06
	41	C	C21	PLPI2B	1	1
	56.87	63.94	57.81
	42	O	O22	PLPI2B	1	1
	57.06	63.68	58.98
	43	C	C22	PLPI2B	1	1
	57.73	64.81	57
	44	H	H2R	PLPI2B	1	1
	58.75	64.62	56.98
	45	H	H2S	PLPI2B	1	1
	57.79	65.69	57.63
	46	C	C3	PLPI2B	1	1
	53.83	62.53	56.57
	47	H	HX	PLPI2B	1	1
	54.35	61.7	56.06
	48	H	HY	PLPI2B	1	1
	52.87	62.15	56.99
	49	O	O31	PLPI2B	1	1
	53.68	63.56	55.59
	50	C	C31	PLPI2B	1	1
	52.61	64.28	55.61
	51	O	O32	PLPI2B	1	1
	51.54	64	56.14
	52	C	C32	PLPI2B	1	1
	53.03	65.54	54.85
	53	H	H2X	PLPI2B	1	1
	53.82	65.31	54.11
	54	H	H2Y	PLPI2B	1	1
	53.28	66.32	55.57
	55	C	C23	PLPI2B	1	1
	57.27	65.07	55.57
	56	H	H3R	PLPI2B	1	1
	58.09	65.79	55.3
	57	H	H3S	PLPI2B	1	1
	56.24	65.47	55.55
	58	C	C24	PLPI2B	1	1
	57.38	64.07	54.47
	59	H	H4R	PLPI2B	1	1
	56.62	63.31	54.44
	60	H	H4S	PLPI2B	1	1
	58.12	63.48	54.97
	61	C	C25	PLPI2B	1	1
	57.64	64.69	53.08
	62	H	H5R	PLPI2B	1	1
	57.96	63.93	52.36
	63	H	H5S	PLPI2B	1	1
	58.49	65.4	53.1
	64	C	C26	PLPI2B	1	1
	56.35	65.29	52.52
	65	H	H6R	PLPI2B	1	1
	56	66.02	53.26
	66	H	H6S	PLPI2B	1	1
	55.6	64.48	52.47
	67	C	C27	PLPI2B	1	1
	56.45	65.99	51.15
	68	H	H7R	PLPI2B	1	1
	57.31	66.68	51.16
	69	H	H7S	PLPI2B	1	1
	55.55	66.62	51.02
	70	C	C28	PLPI2B	1	1
	56.54	65	49.98
	71	H	H8R	PLPI2B	1	1
	57.29	64.23	50.27
	72	H	H8S	PLPI2B	1	1
	56.89	65.49	49.05
	73	C	C29	PLPI2B	1	1
	55.23	64.3	49.73
	74	H	H91	PLPI2B	1	1
	54.9	63.71	50.59
	75	C	C210	PLPI2B	1	1
	54.43	64.39	48.65
	76	H	H101	PLPI2B	1	1
	53.5	63.8	48.63
	77	C	C211	PLPI2B	1	1
	54.69	65.23	47.42
	78	H	H11R	PLPI2B	1	1
	55.55	64.8	46.86
	79	H	H11S	PLPI2B	1	1
	54.96	66.25	47.76
	80	C	C212	PLPI2B	1	1
	53.52	65.39	46.49
	81	H	H121	PLPI2B	1	1
	52.53	65.35	46.98
	82	C	C213	PLPI2B	1	1
	53.58	65.71	45.18
	83	H	H131	PLPI2B	1	1
	52.64	65.84	44.63
	84	C	C214	PLPI2B	1	1
	54.84	65.97	44.38
	85	H	H14R	PLPI2B	1	1
	54.85	65.37	43.45
	86	H	H14S	PLPI2B	1	1
	55.76	65.68	44.92
	87	C	C215	PLPI2B	1	1
	54.94	67.49	44.1
	88	H	H15R	PLPI2B	1	1
	55.97	67.79	43.82
	89	H	H15S	PLPI2B	1	1
	54.66	68.04	45.02
	90	C	C216	PLPI2B	1	1
	54	67.98	43.01
	91	H	H16R	PLPI2B	1	1
	53.95	69.08	42.9
	92	H	H16S	PLPI2B	1	1
	52.97	67.59	43.19
	93	C	C217	PLPI2B	1	1
	54.48	67.41	41.73
	94	H	H17R	PLPI2B	1	1
	54.45	66.3	41.8
	95	H	H17S	PLPI2B	1	1
	55.48	67.78	41.44
	96	C	C218	PLPI2B	1	1
	53.57	67.73	40.66
	97	H	H18R	PLPI2B	1	1
	53.68	67.19	39.7
	98	H	H18S	PLPI2B	1	1
	52.59	67.36	40.9
	99	H	H18T	PLPI2B	1	1
	53.54	68.82	40.44
	100	C	C33	PLPI2B	1	1
	51.95	66.09	54.04
	101	H	H3X	PLPI2B	1	1
	51.08	66.2	54.71
	102	H	H3Y	PLPI2B	1	1
	51.85	65.2	53.35
	103	C	C34	PLPI2B	1	1
	52.16	67.38	53.23
	104	H	H4X	PLPI2B	1	1
	52.75	68.03	53.91
	105	H	H4Y	PLPI2B	1	1
	51.18	67.9	53.04
	106	C	C35	PLPI2B	1	1
	52.86	67.1	51.85
	107	H	H5X	PLPI2B	1	1
	53.68	66.41	52.02
	108	H	H5Y	PLPI2B	1	1
	53.29	67.99	51.5
	109	C	C36	PLPI2B	1	1
	52.15	66.57	50.58
	110	H	H6X	PLPI2B	1	1
	51.25	67.05	50.88
	111	H	H6Y	PLPI2B	1	1
	52.08	65.47	50.54
	112	C	C37	PLPI2B	1	1
	51.78	67.3	49.27
	113	H	H7X	PLPI2B	1	1
	51.45	66.54	48.54
	114	H	H7Y	PLPI2B	1	1
	52.79	67.69	49.08
	115	C	C38	PLPI2B	1	1
	50.63	68.37	49.11
	116	H	H8X	PLPI2B	1	1
	50.66	69.05	49.91
	117	H	H8Y	PLPI2B	1	1
	49.59	68.25	49.44
	118	C	C39	PLPI2B	1	1
	50.73	69.01	47.71
	119	H	H9X	PLPI2B	1	1
	50.32	68.25	47.07
	120	H	H9Y	PLPI2B	1	1
	51.79	69.17	47.4
	121	C	C310	PLPI2B	1	1
	49.91	70.26	47.34
	122	H	H10X	PLPI2B	1	1
	50.6	71.03	47.41
	123	H	H10Y	PLPI2B	1	1
	49.14	70.58	48.07
	124	C	C311	PLPI2B	1	1
	50.32	71.01	46.08
	125	H	H11X	PLPI2B	1	1
	51.39	70.87	45.81
	126	H	H11Y	PLPI2B	1	1
	50.06	72.14	46.11
	127	C	C312	PLPI2B	1	1
	49.64	70.03	45.25
	128	H	H12X	PLPI2B	1	1
	48.77	70.46	45.45
	129	H	H12Y	PLPI2B	1	1
	49.41	69.04	45.56
	130	C	C313	PLPI2B	1	1
	49.42	70.32	43.92
	131	H	H13X	PLPI2B	1	1
	50.44	70.17	43.57
	132	H	H13Y	PLPI2B	1	1
	49.18	71.4	44.18
	133	C	C314	PLPI2B	1	1
	48.37	69.57	43.15
	134	H	H14X	PLPI2B	1	1
	47.3	69.9	43.23
	135	H	H14Y	PLPI2B	1	1
	48.44	68.51	43.26
	136	C	C315	PLPI2B	1	1
	48.54	69.65	41.74
	137	H	H15X	PLPI2B	1	1
	49.56	69.9	41.21
	138	H	H15Y	PLPI2B	1	1
	47.82	70.54	41.65
	139	C	C316	PLPI2B	1	1
	47.77	68.86	40.93
	140	H	H16X	PLPI2B	1	1
	47.4	69.59	40.28
	141	H	H16Y	PLPI2B	1	1
	48.28	68.81	39.98
	142	H	H16Z	PLPI2B	1	1
	47.61	67.79	40.94

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

_cell.entry_id	PLPI2B
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

