# --------------------------------------------------------------------------
#
# 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 PLPI33.gro
#
#---------------------------------------------------------------------------

data_PLPI33

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

_entry.id	PLPI33

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

_chemical.entry_id	PLPI33
_chemical.name_common	'PLPI33'

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

_chemical_formula.entry_id	PLPI33
_chemical_formula.structural	'C43H82O22P4'

###############
## 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	PLPI33	1	1
	12.63	4.88	62.72
	2	H	H2	PLPI33	1	1
	13.62	4.7	62.25
	3	O	O2	PLPI33	1	1
	11.86	3.68	62.62
	4	H	HO2	PLPI33	1	1
	12.19	3.18	61.89
	5	C	C13	PLPI33	1	1
	12.89	5.3	64.17
	6	H	H3	PLPI33	1	1
	13.39	6.32	64.17
	7	O	O3	PLPI33	1	1
	13.67	4.24	64.8
	8	P	P3	PLPI33	1	1
	15.26	4.63	64.78
	9	O	OP32	PLPI33	1	1
	15.37	5.49	66.03
	10	H	HP32	PLPI33	1	1
	15.12	5.01	66.83
	11	O	OP33	PLPI33	1	1
	16.11	3.44	64.97
	12	O	OP34	PLPI33	1	1
	15.52	5.36	63.5
	13	C	C14	PLPI33	1	1
	11.59	5.52	64.87
	14	H	H4	PLPI33	1	1
	10.98	4.59	64.86
	15	O	O4	PLPI33	1	1
	11.83	5.92	66.23
	16	P	P4	PLPI33	1	1
	11.51	4.97	67.57
	17	O	OP42	PLPI33	1	1
	10.06	4.78	68.03
	18	O	OP43	PLPI33	1	1
	12.31	5.54	68.75
	19	O	OP44	PLPI33	1	1
	12.05	3.59	67.23
	20	C	C15	PLPI33	1	1
	10.83	6.56	64.07
	21	H	H5	PLPI33	1	1
	11.27	7.58	64.1
	22	O	O5	PLPI33	1	1
	9.59	6.38	64.72
	23	P	P5	PLPI33	1	1
	9.11	7.56	65.72
	24	O	OP52	PLPI33	1	1
	7.87	7.06	66.48
	25	O	OP53	PLPI33	1	1
	10.14	8.04	66.72
	26	O	OP54	PLPI33	1	1
	9	8.4	64.46
	27	C	C16	PLPI33	1	1
	10.59	6.24	62.61
	28	H	H6	PLPI33	1	1
	9.9	5.4	62.54
	29	O	O6	PLPI33	1	1
	9.94	7.31	61.92
	30	H	HO6	PLPI33	1	1
	9.78	7.07	61.02
	31	C	C11	PLPI33	1	1
	11.92	5.99	61.97
	32	H	H1	PLPI33	1	1
	12.52	6.92	62.12
	33	P	P	PLPI33	1	1
	12.93	5.9	59.53
	34	O	O13	PLPI33	1	1
	13.89	4.79	59.7
	35	O	O14	PLPI33	1	1
	13.37	7.29	59.62
	36	O	O12	PLPI33	1	1
	11.69	5.71	60.57
	37	O	O11	PLPI33	1	1
	12.19	5.67	58.18
	38	C	C1	PLPI33	1	1
	11.52	4.4	57.97
	39	H	HA	PLPI33	1	1
	10.46	4.47	58.28
	40	H	HB	PLPI33	1	1
	12.01	3.58	58.55
	41	C	C2	PLPI33	1	1
	11.6	3.94	56.5
	42	H	HS	PLPI33	1	1
	11.19	2.91	56.4
	43	O	O21	PLPI33	1	1
	12.99	3.95	56.21
	44	C	C21	PLPI33	1	1
	13.4	3.47	55.1
	45	O	O22	PLPI33	1	1
	12.98	2.54	54.43
	46	C	C22	PLPI33	1	1
	14.54	4.34	54.71
	47	H	H2R	PLPI33	1	1
	15.07	3.6	54.08
	48	H	H2S	PLPI33	1	1
	15.13	4.73	55.57
	49	C	C3	PLPI33	1	1
	10.76	4.87	55.57
	50	H	HX	PLPI33	1	1
	9.7	4.69	55.88
	51	H	HY	PLPI33	1	1
	11	5.93	55.81
	52	O	O31	PLPI33	1	1
	11.01	4.67	54.17
	53	C	C31	PLPI33	1	1
	9.94	4.66	53.38
	54	O	O32	PLPI33	1	1
	8.78	4.69	53.75
	55	C	C32	PLPI33	1	1
	10.33	4.76	51.91
	56	H	H2X	PLPI33	1	1
	11.38	5.1	51.8
	57	H	H2Y	PLPI33	1	1
	9.67	5.56	51.51
	58	C	C23	PLPI33	1	1
	14.15	5.44	53.73
	59	H	H3R	PLPI33	1	1
	13.71	6.32	54.22
	60	H	H3S	PLPI33	1	1
	13.46	5	52.98
	61	C	C24	PLPI33	1	1
	15.32	5.9	52.92
	62	H	H4R	PLPI33	1	1
	15.79	5.05	52.48
	63	H	H4S	PLPI33	1	1
	16.12	6.28	53.54
	64	C	C25	PLPI33	1	1
	14.89	6.85	51.85
	65	H	H5R	PLPI33	1	1
	15.77	7.38	51.5
	66	H	H5S	PLPI33	1	1
	14.21	7.6	52.31
	67	C	C26	PLPI33	1	1
	14.29	6.22	50.6
	68	H	H6R	PLPI33	1	1
	13.57	5.42	50.86
	69	H	H6S	PLPI33	1	1
	15.08	5.75	49.96
	70	C	C27	PLPI33	1	1
	13.61	7.38	49.87
	71	H	H7R	PLPI33	1	1
	14.33	8.23	49.82
	72	H	H7S	PLPI33	1	1
	12.77	7.69	50.52
	73	C	C28	PLPI33	1	1
	13.08	7	48.5
	74	H	H8R	PLPI33	1	1
	12.34	7.74	48.14
	75	H	H8S	PLPI33	1	1
	12.55	6.04	48.63
	76	C	C29	PLPI33	1	1
	14.24	6.87	47.55
	77	H	H91	PLPI33	1	1
	15.2	7.33	47.86
	78	C	C210	PLPI33	1	1
	14.16	6.21	46.39
	79	H	H101	PLPI33	1	1
	15.06	6.09	45.77
	80	C	C211	PLPI33	1	1
	12.92	5.54	45.88
	81	H	H11R	PLPI33	1	1
	12.95	5.49	44.77
	82	H	H11S	PLPI33	1	1
	12.02	6.15	46.11
	83	C	C212	PLPI33	1	1
	12.75	4.19	46.52
	84	H	H121	PLPI33	1	1
	12.16	4.2	47.45
	85	C	C213	PLPI33	1	1
	13.21	3.03	46.02
	86	H	H131	PLPI33	1	1
	13.01	2.08	46.55
	87	C	C214	PLPI33	1	1
	13.94	2.96	44.71
	88	H	H14R	PLPI33	1	1
	14.67	2.12	44.65
	89	H	H14S	PLPI33	1	1
	14.55	3.88	44.56
	90	C	C215	PLPI33	1	1
	12.91	2.86	43.57
	91	H	H15R	PLPI33	1	1
	12.25	3.76	43.6
	92	H	H15S	PLPI33	1	1
	12.25	1.98	43.74
	93	C	C216	PLPI33	1	1
	13.58	2.74	42.2
	94	H	H16R	PLPI33	1	1
	12.81	2.56	41.42
	95	H	H16S	PLPI33	1	1
	14.25	1.85	42.21
	96	C	C217	PLPI33	1	1
	14.46	3.95	41.84
	97	H	H17R	PLPI33	1	1
	15.53	3.68	41.99
	98	H	H17S	PLPI33	1	1
	14.24	4.79	42.53
	99	C	C218	PLPI33	1	1
	14.28	4.44	40.41
	100	H	H18R	PLPI33	1	1
	15.01	5.24	40.14
	101	H	H18S	PLPI33	1	1
	14.47	3.57	39.75
	102	H	H18T	PLPI33	1	1
	13.26	4.83	40.21
	103	C	C33	PLPI33	1	1
	10.16	3.45	51.11
	104	H	H3X	PLPI33	1	1
	9.15	3	51.28
	105	H	H3Y	PLPI33	1	1
	10.93	2.72	51.46
	106	C	C34	PLPI33	1	1
	10.31	3.64	49.61
	107	H	H4X	PLPI33	1	1
	10.7	2.71	49.14
	108	H	H4Y	PLPI33	1	1
	11.05	4.44	49.38
	109	C	C35	PLPI33	1	1
	8.95	3.95	48.98
	110	H	H5X	PLPI33	1	1
	8.5	4.83	49.5
	111	H	H5Y	PLPI33	1	1
	8.24	3.11	49.14
	112	C	C36	PLPI33	1	1
	9.14	4.23	47.5
	113	H	H6X	PLPI33	1	1
	9.42	3.31	46.94
	114	H	H6Y	PLPI33	1	1
	9.96	4.98	47.39
	115	C	C37	PLPI33	1	1
	7.91	4.76	46.82
	116	H	H7X	PLPI33	1	1
	7.01	4.15	47.07
	117	H	H7Y	PLPI33	1	1
	8.05	4.71	45.72
	118	C	C38	PLPI33	1	1
	7.7	6.19	47.26
	119	H	H8X	PLPI33	1	1
	7.55	6.31	48.36
	120	H	H8Y	PLPI33	1	1
	6.65	6.27	46.9
	121	C	C39	PLPI33	1	1
	8.8	7.26	46.83
	122	H	H9X	PLPI33	1	1
	9.66	7.25	47.53
	123	H	H9Y	PLPI33	1	1
	8.39	8.19	47.26
	124	C	C310	PLPI33	1	1
	9.39	7.38	45.34
	125	H	H10X	PLPI33	1	1
	10.1	6.55	45.24
	126	H	H10Y	PLPI33	1	1
	9.75	8.39	45.01
	127	C	C311	PLPI33	1	1
	8.72	6.91	44.07
	128	H	H11X	PLPI33	1	1
	8.24	7.68	43.43
	129	H	H11Y	PLPI33	1	1
	8	6.13	44.36
	130	C	C312	PLPI33	1	1
	9.48	6.4	42.99
	131	H	H12X	PLPI33	1	1
	8.67	6.16	42.31
	132	H	H12Y	PLPI33	1	1
	9.43	5.34	43.28
	133	C	C313	PLPI33	1	1
	9.55	7.44	41.86
	134	H	H13X	PLPI33	1	1
	10.34	8.04	42.32
	135	H	H13Y	PLPI33	1	1
	8.7	8.17	41.68
	136	C	C314	PLPI33	1	1
	9.74	6.72	40.56
	137	H	H14X	PLPI33	1	1
	8.76	6.51	40.07
	138	H	H14Y	PLPI33	1	1
	10.17	5.72	40.83
	139	C	C315	PLPI33	1	1
	10.64	7.56	39.72
	140	H	H15X	PLPI33	1	1
	11.49	7.96	40.33
	141	H	H15Y	PLPI33	1	1
	10.08	8.45	39.37
	142	C	C316	PLPI33	1	1
	11.18	6.74	38.58
	143	H	H16X	PLPI33	1	1
	10.36	6.3	37.97
	144	H	H16Y	PLPI33	1	1
	11.82	7.41	37.96
	145	H	H16Z	PLPI33	1	1
	11.79	5.91	38.98

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

_cell.entry_id	PLPI33
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

