# --------------------------------------------------------------------------
#
# 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 PLPI.gro
#
#---------------------------------------------------------------------------

data_PLPI

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

_entry.id	PLPI

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

_chemical.entry_id	PLPI
_chemical.name_common	'PLPI'

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

_chemical_formula.entry_id	PLPI
_chemical_formula.structural	'C43H81O13P'

###############
## 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	PLPI	1	1
	25.59	7.75	62.04
	2	H	H2	PLPI	1	1
	24.82	7.32	61.37
	3	O	O2	PLPI	1	1
	25.77	9.11	61.63
	4	H	HO2	PLPI	1	1
	26.55	9.39	62.09
	5	C	C13	PLPI	1	1
	25.02	7.62	63.44
	6	H	H3	PLPI	1	1
	24.86	6.55	63.66
	7	O	O3	PLPI	1	1
	23.74	8.26	63.48
	8	H	HO3	PLPI	1	1
	23.82	9.2	63.24
	9	C	C14	PLPI	1	1
	26.01	8.16	64.47
	10	H	H4	PLPI	1	1
	25.95	9.22	64.2
	11	O	O4	PLPI	1	1
	25.51	8.08	65.82
	12	H	HO4	PLPI	1	1
	25.08	8.94	66
	13	C	C15	PLPI	1	1
	27.36	7.39	64.33
	14	H	H5	PLPI	1	1
	27.13	6.35	64.61
	15	O	O5	PLPI	1	1
	28.42	7.79	65.22
	16	H	HO5	PLPI	1	1
	28.5	7.15	65.92
	17	C	C16	PLPI	1	1
	27.94	7.47	62.91
	18	H	H6	PLPI	1	1
	28.27	8.5	62.68
	19	O	O6	PLPI	1	1
	29.1	6.62	62.78
	20	H	HO6	PLPI	1	1
	29.79	7.13	62.33
	21	C	C11	PLPI	1	1
	26.89	6.97	61.93
	22	H	H1	PLPI	1	1
	26.68	5.91	62.21
	23	P	P	PLPI	1	1
	26.82	6.16	59.35
	24	O	O13	PLPI	1	1
	25.4	6.5	59.17
	25	O	O14	PLPI	1	1
	27.18	4.75	59.69
	26	O	O12	PLPI	1	1
	27.41	7.07	60.59
	27	O	O11	PLPI	1	1
	27.65	6.68	58.09
	28	C	C1	PLPI	1	1
	28.95	7.26	58.21
	29	H	HA	PLPI	1	1
	29.62	6.63	58.83
	30	H	HB	PLPI	1	1
	28.85	8.27	58.65
	31	C	C2	PLPI	1	1
	29.61	7.55	56.84
	32	H	HS	PLPI	1	1
	30.6	8.04	57.03
	33	O	O21	PLPI	1	1
	28.73	8.43	56.11
	34	C	C21	PLPI	1	1
	29.32	9.14	55.19
	35	O	O22	PLPI	1	1
	30.49	9.1	54.88
	36	C	C22	PLPI	1	1
	28.34	10.12	54.67
	37	H	H2R	PLPI	1	1
	28.7	11.05	55.15
	38	H	H2S	PLPI	1	1
	27.3	9.95	55.01
	39	C	C3	PLPI	1	1
	29.88	6.24	56.09
	40	H	HX	PLPI	1	1
	30.8	5.81	56.53
	41	H	HY	PLPI	1	1
	29	5.58	56.26
	42	O	O31	PLPI	1	1
	30.08	6.47	54.7
	43	C	C31	PLPI	1	1
	30.2	5.39	53.96
	44	O	O32	PLPI	1	1
	30.13	4.24	54.34
	45	C	C32	PLPI	1	1
	30.32	5.86	52.52
	46	H	H2X	PLPI	1	1
	31.14	6.6	52.42
	47	H	H2Y	PLPI	1	1
	29.37	6.38	52.28
	48	C	C23	PLPI	1	1
	28.57	10.07	53.16
	49	H	H3R	PLPI	1	1
	29.63	10.28	52.91
	50	H	H3S	PLPI	1	1
	27.98	10.72	52.53
	51	C	C24	PLPI	1	1
	27.86	9.02	52.38
	52	H	H4R	PLPI	1	1
	26.92	8.84	52.96
	53	H	H4S	PLPI	1	1
	28.62	8.23	52.41
	54	C	C25	PLPI	1	1
	27.51	9.36	50.9
	55	H	H5R	PLPI	1	1
	28.37	9.84	50.37
	56	H	H5S	PLPI	1	1
	26.65	10.06	50.82
	57	C	C26	PLPI	1	1
	27.15	8.03	50.27
	58	H	H6R	PLPI	1	1
	28.09	7.44	50.2
	59	H	H6S	PLPI	1	1
	26.79	8.17	49.23
	60	C	C27	PLPI	1	1
	26.01	7.36	51.07
	61	H	H7R	PLPI	1	1
	25.2	8.11	51.13
	62	H	H7S	PLPI	1	1
	26.25	7.11	52.13
	63	C	C28	PLPI	1	1
	25.43	6.13	50.4
	64	H	H8R	PLPI	1	1
	25.25	6.33	49.32
	65	H	H8S	PLPI	1	1
	24.5	5.79	50.89
	66	C	C29	PLPI	1	1
	26.55	5.18	50.54
	67	H	H91	PLPI	1	1
	26.61	4.66	51.52
	68	C	C210	PLPI	1	1
	27.17	4.61	49.51
	69	H	H101	PLPI	1	1
	28.08	4.11	49.78
	70	C	C211	PLPI	1	1
	27.2	4.5	48.02
	71	H	H11R	PLPI	1	1
	26.28	4.77	47.54
	72	H	H11S	PLPI	1	1
	27.39	3.44	47.69
	73	C	C212	PLPI	1	1
	28.17	5.47	47.55
	74	H	H121	PLPI	1	1
	29.16	5.32	48
	75	C	C213	PLPI	1	1
	27.85	6.45	46.7
	76	H	H131	PLPI	1	1
	28.66	7.15	46.5
	77	C	C214	PLPI	1	1
	26.51	6.77	46.05
	78	H	H14R	PLPI	1	1
	26.01	7.61	46.57
	79	H	H14S	PLPI	1	1
	25.76	5.96	46.09
	80	C	C215	PLPI	1	1
	26.66	7.09	44.54
	81	H	H15R	PLPI	1	1
	25.68	7.44	44.14
	82	H	H15S	PLPI	1	1
	26.92	6.14	44.02
	83	C	C216	PLPI	1	1
	27.73	8.14	44.23
	84	H	H16R	PLPI	1	1
	28.76	7.76	44.41
	85	H	H16S	PLPI	1	1
	27.56	8.96	44.94
	86	C	C217	PLPI	1	1
	27.69	8.73	42.82
	87	H	H17R	PLPI	1	1
	28.29	9.67	42.89
	88	H	H17S	PLPI	1	1
	26.63	8.91	42.53
	89	C	C218	PLPI	1	1
	28.44	7.99	41.73
	90	H	H18R	PLPI	1	1
	28.25	8.45	40.73
	91	H	H18S	PLPI	1	1
	29.52	8.07	41.95
	92	H	H18T	PLPI	1	1
	28.1	6.94	41.75
	93	C	C33	PLPI	1	1
	30.47	4.7	51.54
	94	H	H3X	PLPI	1	1
	30.14	5.08	50.55
	95	H	H3Y	PLPI	1	1
	29.81	3.84	51.81
	96	C	C34	PLPI	1	1
	31.88	4.16	51.46
	97	H	H4X	PLPI	1	1
	32.29	3.87	52.46
	98	H	H4Y	PLPI	1	1
	32.59	4.89	51.02
	99	C	C35	PLPI	1	1
	31.9	2.93	50.57
	100	H	H5X	PLPI	1	1
	31.36	2.06	51.01
	101	H	H5Y	PLPI	1	1
	32.97	2.7	50.6
	102	C	C36	PLPI	1	1
	31.37	3.26	49.17
	103	H	H6X	PLPI	1	1
	31.83	4.17	48.73
	104	H	H6Y	PLPI	1	1
	30.34	3.54	49.25
	105	C	C37	PLPI	1	1
	31.58	2.15	48.18
	106	H	H7X	PLPI	1	1
	31.58	1.11	48.58
	107	H	H7Y	PLPI	1	1
	32.63	2.29	48.35
	108	C	C38	PLPI	1	1
	31.06	2.22	46.69
	109	H	H8X	PLPI	1	1
	29.97	2	46.57
	110	H	H8Y	PLPI	1	1
	31.54	1.44	46.06
	111	C	C39	PLPI	1	1
	31.13	3.54	46
	112	H	H9X	PLPI	1	1
	32.19	3.83	45.87
	113	H	H9Y	PLPI	1	1
	30.59	4.26	46.66
	114	C	C310	PLPI	1	1
	30.37	3.5	44.67
	115	H	H10X	PLPI	1	1
	29.32	3.16	44.88
	116	H	H10Y	PLPI	1	1
	30.8	2.75	43.97
	117	C	C311	PLPI	1	1
	30.34	4.91	44.1
	118	H	H11X	PLPI	1	1
	31.18	5.5	44.52
	119	H	H11Y	PLPI	1	1
	29.39	5.37	44.44
	120	C	C312	PLPI	1	1
	30.48	4.99	42.58
	121	H	H12X	PLPI	1	1
	30.34	6.06	42.31
	122	H	H12Y	PLPI	1	1
	29.69	4.39	42.1
	123	C	C313	PLPI	1	1
	31.87	4.59	42.08
	124	H	H13X	PLPI	1	1
	32.11	3.57	42.46
	125	H	H13Y	PLPI	1	1
	32.63	5.26	42.53
	126	C	C314	PLPI	1	1
	31.97	4.61	40.53
	127	H	H14X	PLPI	1	1
	31.34	5.42	40.11
	128	H	H14Y	PLPI	1	1
	31.5	3.66	40.19
	129	C	C315	PLPI	1	1
	33.36	4.91	39.91
	130	H	H15X	PLPI	1	1
	33.28	4.99	38.81
	131	H	H15Y	PLPI	1	1
	34.13	4.13	39.95
	132	C	C316	PLPI	1	1
	33.98	6.17	40.48
	133	H	H16X	PLPI	1	1
	33.15	6.85	40.78
	134	H	H16Y	PLPI	1	1
	34.6	5.95	41.38
	135	H	H16Z	PLPI	1	1
	34.63	6.66	39.74

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

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

