# --------------------------------------------------------------------------
#
# 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 PLPI13.gro
#
#---------------------------------------------------------------------------

data_PLPI13

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

_entry.id	PLPI13

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

_chemical.entry_id	PLPI13
_chemical.name_common	'PLPI13'

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

_chemical_formula.entry_id	PLPI13
_chemical_formula.structural	'C43H82O16P2'

###############
## 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	PLPI13	1	1
	41.26	24.47	62.67
	2	H	H2	PLPI13	1	1
	40.49	25.23	62.39
	3	O	O2	PLPI13	1	1
	42.57	25.04	62.51
	4	H	HO2	PLPI13	1	1
	42.46	25.99	62.51
	5	C	C13	PLPI13	1	1
	40.99	24	64.11
	6	H	H3	PLPI13	1	1
	39.96	23.54	64.13
	7	O	O3	PLPI13	1	1
	41.04	25.14	64.99
	8	P	P3	PLPI13	1	1
	39.75	25.65	65.92
	9	O	OP32	PLPI13	1	1
	40.2	26.99	66.53
	10	O	OP33	PLPI13	1	1
	39.45	24.55	66.96
	11	O	OP34	PLPI13	1	1
	38.65	25.98	64.91
	12	C	C14	PLPI13	1	1
	41.98	22.88	64.47
	13	H	H4	PLPI13	1	1
	43.01	23.25	64.38
	14	O	O4	PLPI13	1	1
	41.88	22.43	65.83
	15	H	HO4	PLPI13	1	1
	41.56	21.53	65.8
	16	C	C15	PLPI13	1	1
	41.8	21.7	63.51
	17	H	H5	PLPI13	1	1
	40.81	21.21	63.62
	18	O	O5	PLPI13	1	1
	42.8	20.72	63.79
	19	H	HO5	PLPI13	1	1
	42.68	20.41	64.7
	20	C	C16	PLPI13	1	1
	42	22.17	62.08
	21	H	H6	PLPI13	1	1
	43.06	22.45	61.91
	22	O	O6	PLPI13	1	1
	41.62	21.11	61.2
	23	H	HO6	PLPI13	1	1
	42.19	20.36	61.13
	24	C	C11	PLPI13	1	1
	41.08	23.31	61.72
	25	H	H1	PLPI13	1	1
	40.02	22.95	61.84
	26	P	P	PLPI13	1	1
	40.14	24.07	59.35
	27	O	O13	PLPI13	1	1
	39.79	25.45	59.8
	28	O	O14	PLPI13	1	1
	39.13	23	59.3
	29	O	O12	PLPI13	1	1
	41.39	23.66	60.35
	30	O	O11	PLPI13	1	1
	40.98	24.19	58.02
	31	C	C1	PLPI13	1	1
	41.68	25.4	57.76
	32	H	HA	PLPI13	1	1
	42.36	25.66	58.61
	33	H	HB	PLPI13	1	1
	40.95	26.24	57.65
	34	C	C2	PLPI13	1	1
	42.5	25.27	56.45
	35	H	HS	PLPI13	1	1
	42.78	26.28	56.1
	36	O	O21	PLPI13	1	1
	41.81	24.56	55.4
	37	C	C21	PLPI13	1	1
	40.65	25.09	55.06
	38	O	O22	PLPI13	1	1
	40.21	26.17	55.44
	39	C	C22	PLPI13	1	1
	39.97	24.25	54.02
	40	H	H2R	PLPI13	1	1
	39.6	23.3	54.47
	41	H	H2S	PLPI13	1	1
	40.62	24	53.16
	42	C	C3	PLPI13	1	1
	43.81	24.5	56.77
	43	H	HX	PLPI13	1	1
	44.46	25.11	57.44
	44	H	HY	PLPI13	1	1
	43.52	23.6	57.33
	45	O	O31	PLPI13	1	1
	44.5	24.08	55.59
	46	C	C31	PLPI13	1	1
	45.07	25.09	54.94
	47	O	O32	PLPI13	1	1
	45.14	26.22	55.38
	48	C	C32	PLPI13	1	1
	45.47	24.57	53.55
	49	H	H2X	PLPI13	1	1
	46.13	23.69	53.67
	50	H	H2Y	PLPI13	1	1
	46.01	25.31	52.96
	51	C	C23	PLPI13	1	1
	38.84	25.08	53.47
	52	H	H3R	PLPI13	1	1
	39.21	25.84	52.74
	53	H	H3S	PLPI13	1	1
	38.16	25.58	54.2
	54	C	C24	PLPI13	1	1
	38.03	24.15	52.73
	55	H	H4R	PLPI13	1	1
	37.38	23.49	53.38
	56	H	H4S	PLPI13	1	1
	38.64	23.51	52.04
	57	C	C25	PLPI13	1	1
	37.21	24.96	51.89
	58	H	H5R	PLPI13	1	1
	37.67	25.66	51.13
	59	H	H5S	PLPI13	1	1
	36.43	25.57	52.45
	60	C	C26	PLPI13	1	1
	36.62	23.68	51.43
	61	H	H6R	PLPI13	1	1
	36.31	24.5	50.78
	62	H	H6S	PLPI13	1	1
	35.88	23.17	52.06
	63	C	C27	PLPI13	1	1
	36.87	22.57	50.5
	64	H	H7R	PLPI13	1	1
	35.87	22.3	50.09
	65	H	H7S	PLPI13	1	1
	37.06	21.69	51.13
	66	C	C28	PLPI13	1	1
	37.81	23.11	49.51
	67	H	H8R	PLPI13	1	1
	38.65	23.53	50.02
	68	H	H8S	PLPI13	1	1
	37.53	23.97	48.85
	69	C	C29	PLPI13	1	1
	38.45	22.04	48.9
	70	H	H91	PLPI13	1	1
	38	21.06	49.17
	71	C	C210	PLPI13	1	1
	38.5	22.23	47.64
	72	H	H101	PLPI13	1	1
	39.2	21.47	47.28
	73	C	C211	PLPI13	1	1
	38.01	23.32	46.64
	74	H	H11R	PLPI13	1	1
	37.07	23.83	46.89
	75	H	H11S	PLPI13	1	1
	37.61	23.14	45.59
	76	C	C212	PLPI13	1	1
	39.36	23.89	46.64
	77	H	H121	PLPI13	1	1
	40.27	23.24	46.65
	78	C	C213	PLPI13	1	1
	39.46	25.17	46.61
	79	H	H131	PLPI13	1	1
	40.46	25.53	46.8
	80	C	C214	PLPI13	1	1
	38.26	26.08	46.56
	81	H	H14R	PLPI13	1	1
	38.41	26.82	47.34
	82	H	H14S	PLPI13	1	1
	37.25	25.65	46.77
	83	C	C215	PLPI13	1	1
	38.16	26.71	45.17
	84	H	H15R	PLPI13	1	1
	39.16	26.85	44.71
	85	H	H15S	PLPI13	1	1
	37.7	27.71	45.29
	86	C	C216	PLPI13	1	1
	37.25	25.91	44.25
	87	H	H16R	PLPI13	1	1
	36.24	25.8	44.72
	88	H	H16S	PLPI13	1	1
	37.63	24.9	44.01
	89	C	C217	PLPI13	1	1
	37.1	26.61	42.93
	90	H	H17R	PLPI13	1	1
	38.06	26.72	42.38
	91	H	H17S	PLPI13	1	1
	36.78	27.67	43.13
	92	C	C218	PLPI13	1	1
	36.14	25.8	42.05
	93	H	H18R	PLPI13	1	1
	36.41	24.84	41.61
	94	H	H18S	PLPI13	1	1
	35.1	25.75	42.43
	95	H	H18T	PLPI13	1	1
	36.19	26.32	41.12
	96	C	C33	PLPI13	1	1
	44.26	24.28	52.66
	97	H	H3X	PLPI13	1	1
	43.47	23.78	53.26
	98	H	H3Y	PLPI13	1	1
	44.63	23.59	51.86
	99	C	C34	PLPI13	1	1
	43.73	25.59	52.08
	100	H	H4X	PLPI13	1	1
	44.55	26.18	51.62
	101	H	H4Y	PLPI13	1	1
	43.33	26.19	52.93
	102	C	C35	PLPI13	1	1
	42.6	25.41	51.05
	103	H	H5X	PLPI13	1	1
	42.39	26.37	50.55
	104	H	H5Y	PLPI13	1	1
	41.69	25.09	51.6
	105	C	C36	PLPI13	1	1
	42.86	24.32	50.01
	106	H	H6X	PLPI13	1	1
	41.92	24.2	49.43
	107	H	H6Y	PLPI13	1	1
	43.06	23.35	50.52
	108	C	C37	PLPI13	1	1
	44	24.59	49.01
	109	H	H7X	PLPI13	1	1
	44.93	24.93	49.51
	110	H	H7Y	PLPI13	1	1
	43.66	25.4	48.33
	111	C	C38	PLPI13	1	1
	44.26	23.3	48.21
	112	H	H8X	PLPI13	1	1
	43.37	23.11	47.59
	113	H	H8Y	PLPI13	1	1
	44.36	22.43	48.9
	114	C	C39	PLPI13	1	1
	45.54	23.34	47.37
	115	H	H9X	PLPI13	1	1
	45.76	22.29	47.05
	116	H	H9Y	PLPI13	1	1
	46.4	23.7	47.99
	117	C	C310	PLPI13	1	1
	45.48	24.24	46.14
	118	H	H10X	PLPI13	1	1
	46.48	24.15	45.72
	119	H	H10Y	PLPI13	1	1
	45.35	25.31	46.39
	120	C	C311	PLPI13	1	1
	44.55	23.79	45.02
	121	H	H11X	PLPI13	1	1
	43.59	23.45	45.44
	122	H	H11Y	PLPI13	1	1
	45.04	22.92	44.53
	123	C	C312	PLPI13	1	1
	44.28	24.9	43.99
	124	H	H12X	PLPI13	1	1
	43.89	24.43	43.06
	125	H	H12Y	PLPI13	1	1
	45.22	25.43	43.74
	126	C	C313	PLPI13	1	1
	43.28	25.98	44.47
	127	H	H13X	PLPI13	1	1
	43.79	26.58	45.26
	128	H	H13Y	PLPI13	1	1
	42.38	25.52	44.93
	129	C	C314	PLPI13	1	1
	42.86	26.94	43.34
	130	H	H14X	PLPI13	1	1
	42.02	26.52	42.75
	131	H	H14Y	PLPI13	1	1
	43.72	27.05	42.64
	132	C	C315	PLPI13	1	1
	42.54	28.35	43.86
	133	H	H15X	PLPI13	1	1
	43.49	28.75	44.28
	134	H	H15Y	PLPI13	1	1
	41.81	28.3	44.7
	135	C	C316	PLPI13	1	1
	42.04	29.32	42.78
	136	H	H16X	PLPI13	1	1
	42.62	29.22	41.83
	137	H	H16Y	PLPI13	1	1
	40.98	29.11	42.53
	138	H	H16Z	PLPI13	1	1
	42.14	30.37	43.13

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

_cell.entry_id	PLPI13
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

