# --------------------------------------------------------------------------
#
# 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 PSPG.gro
#
#---------------------------------------------------------------------------

data_PSPG

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

_entry.id	PSPG

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

_chemical.entry_id	PSPG
_chemical.name_common	'PSPG'

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

_chemical_formula.entry_id	PSPG
_chemical_formula.structural	'C38H75O10P'

###############
## 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	C13	PSPG	1	1
	31.61	28.73	58.96
	2	H	H13A	PSPG	1	1
	31.9	29.55	59.64
	3	H	H13B	PSPG	1	1
	30.53	28.83	58.73
	4	O	OC3	PSPG	1	1
	31.82	27.49	59.63
	5	H	HO3	PSPG	1	1
	32.67	27.16	59.29
	6	C	C12	PSPG	1	1
	32.43	28.81	57.64
	7	H	H12A	PSPG	1	1
	32.34	27.83	57.12
	8	O	OC2	PSPG	1	1
	31.84	29.79	56.8
	9	H	HO2	PSPG	1	1
	32.56	30.2	56.29
	10	C	C11	PSPG	1	1
	33.96	29.15	57.79
	11	H	H11A	PSPG	1	1
	34.02	30.24	57.96
	12	H	H11B	PSPG	1	1
	34.46	28.93	56.82
	13	P	P	PSPG	1	1
	35.47	27.22	58.94
	14	O	O13	PSPG	1	1
	34.64	26.16	59.52
	15	O	O14	PSPG	1	1
	36.7	27.48	59.72
	16	O	O11	PSPG	1	1
	35.87	26.83	57.48
	17	O	O12	PSPG	1	1
	34.61	28.54	58.89
	18	C	C1	PSPG	1	1
	35.06	26	56.63
	19	H	HA	PSPG	1	1
	34.25	26.61	56.19
	20	H	HB	PSPG	1	1
	34.59	25.15	57.16
	21	C	C2	PSPG	1	1
	35.94	25.46	55.5
	22	H	HS	PSPG	1	1
	36.68	24.77	55.98
	23	O	O21	PSPG	1	1
	36.57	26.62	55.01
	24	C	C21	PSPG	1	1
	37.66	26.34	54.43
	25	O	O22	PSPG	1	1
	38.13	25.22	54.23
	26	C	C22	PSPG	1	1
	38.08	27.61	53.79
	27	H	H2R	PSPG	1	1
	39.03	28.03	54.18
	28	H	H2S	PSPG	1	1
	37.3	28.4	53.83
	29	C	C3	PSPG	1	1
	35.22	24.68	54.35
	30	H	HX	PSPG	1	1
	34.34	24.14	54.73
	31	H	HY	PSPG	1	1
	35.95	23.94	53.96
	32	O	O31	PSPG	1	1
	34.84	25.49	53.25
	33	C	C31	PSPG	1	1
	33.66	26.06	53.34
	34	O	O32	PSPG	1	1
	32.85	25.96	54.24
	35	C	C32	PSPG	1	1
	33.53	26.96	52.14
	36	H	H2X	PSPG	1	1
	33.67	26.34	51.23
	37	H	H2Y	PSPG	1	1
	32.52	27.42	52.12
	38	C	C23	PSPG	1	1
	38.12	27.07	52.41
	39	H	H3R	PSPG	1	1
	37.39	26.3	52.08
	40	H	H3S	PSPG	1	1
	39.13	26.62	52.2
	41	C	C24	PSPG	1	1
	37.81	28.08	51.45
	42	H	H4R	PSPG	1	1
	38.18	29	51.87
	43	H	H4S	PSPG	1	1
	37.08	28.81	51.28
	44	C	C25	PSPG	1	1
	38.3	27.4	50.24
	45	H	H5R	PSPG	1	1
	39.14	26.72	50.17
	46	H	H5S	PSPG	1	1
	38.72	28.31	50.18
	47	C	C26	PSPG	1	1
	37.47	27.23	49.11
	48	H	H6R	PSPG	1	1
	36.77	28.09	49.05
	49	H	H6S	PSPG	1	1
	37.02	26.26	49.45
	50	C	C27	PSPG	1	1
	38.14	27.08	47.73
	51	H	H7R	PSPG	1	1
	39.2	26.76	47.74
	52	H	H7S	PSPG	1	1
	38.04	27.91	47.02
	53	C	C28	PSPG	1	1
	37.26	26.12	47.07
	54	H	H8R	PSPG	1	1
	37.64	25.23	47.65
	55	H	H8S	PSPG	1	1
	37.57	25.94	46.04
	56	C	C29	PSPG	1	1
	35.84	26.7	47.37
	57	H	H9R	PSPG	1	1
	35.34	26.41	48.31
	58	C	C210	PSPG	1	1
	35.09	27.5	46.7
	59	H	H10R	PSPG	1	1
	34.01	27.53	46.91
	60	C	C211	PSPG	1	1
	35.64	27.91	45.42
	61	H	H11R	PSPG	1	1
	36.71	27.8	45.32
	62	H	H11S	PSPG	1	1
	35.16	28.74	44.87
	63	C	C212	PSPG	1	1
	35.15	26.76	44.73
	64	H	H12R	PSPG	1	1
	35.42	25.78	45.17
	65	H	H12S	PSPG	1	1
	35.81	26.35	43.99
	66	C	C213	PSPG	1	1
	33.66	27.16	44.44
	67	H	H13R	PSPG	1	1
	33.21	26.73	45.34
	68	H	H13S	PSPG	1	1
	33.8	26.07	44.41
	69	C	C214	PSPG	1	1
	32.72	27.97	43.1
	70	H	H14R	PSPG	1	1
	31.67	27.78	42.95
	71	H	H14S	PSPG	1	1
	32.71	28.99	43.43
	72	C	C215	PSPG	1	1
	32.67	27.85	41.33
	73	H	H15R	PSPG	1	1
	33.59	28.38	41
	74	H	H15S	PSPG	1	1
	31.95	28.49	40.82
	75	C	C216	PSPG	1	1
	32.71	26.66	40.24
	76	H	H16R	PSPG	1	1
	31.99	25.84	40.05
	77	H	H16S	PSPG	1	1
	33.49	25.87	40.31
	78	H	H16T	PSPG	1	1
	33.06	27.16	39.33
	79	C	C33	PSPG	1	1
	34.62	28.02	52.23
	80	H	H3X	PSPG	1	1
	35.59	27.56	52.53
	81	H	H3Y	PSPG	1	1
	34.38	28.78	53.01
	82	C	C34	PSPG	1	1
	34.85	28.65	50.87
	83	H	H4X	PSPG	1	1
	35.25	27.94	50.14
	84	H	H4Y	PSPG	1	1
	35.54	29.51	51.04
	85	C	C35	PSPG	1	1
	33.65	29.3	50.3
	86	H	H5X	PSPG	1	1
	33.94	30.22	50.76
	87	H	H5Y	PSPG	1	1
	32.68	29.01	50.72
	88	C	C36	PSPG	1	1
	33.61	29.69	48.84
	89	H	H6X	PSPG	1	1
	32.7	30.32	48.69
	90	H	H6Y	PSPG	1	1
	33.53	28.78	48.24
	91	C	C37	PSPG	1	1
	34.72	30.57	48.32
	92	H	H7X	PSPG	1	1
	34.6	31.55	48.8
	93	H	H7Y	PSPG	1	1
	35.73	30.2	48.56
	94	C	C38	PSPG	1	1
	34.46	30.74	46.84
	95	H	H8X	PSPG	1	1
	33.57	31.39	46.68
	96	H	H8Y	PSPG	1	1
	34.26	29.8	46.32
	97	C	C39	PSPG	1	1
	35.57	31.37	46.07
	98	H	H9X	PSPG	1	1
	35.32	32.39	46.17
	99	H	H9Y	PSPG	1	1
	35.54	31.07	45.02
	100	C	C310	PSPG	1	1
	36.94	31.35	46.56
	101	H	H10X	PSPG	1	1
	36.98	30.26	46.69
	102	H	H10Y	PSPG	1	1
	37.02	31.82	47.56
	103	C	C311	PSPG	1	1
	38.03	32	45.66
	104	H	H11X	PSPG	1	1
	38.89	32.13	46.29
	105	H	H11Y	PSPG	1	1
	38.12	33.09	45.62
	106	C	C312	PSPG	1	1
	38.3	31.56	44.23
	107	H	H12X	PSPG	1	1
	37.91	32.38	43.6
	108	H	H12Y	PSPG	1	1
	39.39	31.63	44.01
	109	C	C313	PSPG	1	1
	37.76	30.21	43.73
	110	H	H13X	PSPG	1	1
	36.7	30.11	43.96
	111	H	H13Y	PSPG	1	1
	37.85	30.26	42.62
	112	C	C314	PSPG	1	1
	38.37	28.92	44.28
	113	H	H14X	PSPG	1	1
	38.31	28.93	45.36
	114	H	H14Y	PSPG	1	1
	38.06	27.93	43.92
	115	C	C315	PSPG	1	1
	39.76	28.82	44.03
	116	H	H15X	PSPG	1	1
	39.97	29.8	44.46
	117	H	H15Y	PSPG	1	1
	40.37	27.96	44.39
	118	C	C316	PSPG	1	1
	40.11	29.07	42.78
	119	H	H16X	PSPG	1	1
	40.42	30.15	42.69
	120	H	H16Y	PSPG	1	1
	39.26	28.83	42.1
	121	H	H16Z	PSPG	1	1
	41.02	28.51	42.6

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

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

