# --------------------------------------------------------------------------
#
# 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 PHPC.gro
#
#---------------------------------------------------------------------------

data_PHPC

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

_entry.id	PHPC

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

_chemical.entry_id	PHPC
_chemical.name_common	'PHPC'

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

_chemical_formula.entry_id	PHPC
_chemical_formula.structural	'C48H97NO8P'

###############
## 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	N	N	PHPC	1	1
	13.03	16.67	56.63
	2	C	C13	PHPC	1	1
	14.47	16.37	56.95
	3	H	H13A	PHPC	1	1
	14.78	15.44	56.5
	4	H	H13B	PHPC	1	1
	14.6	16.32	58.02
	5	H	H13C	PHPC	1	1
	15.08	17.2	56.59
	6	C	C14	PHPC	1	1
	12.93	16.83	55.14
	7	H	H14A	PHPC	1	1
	13.26	17.83	54.88
	8	H	H14B	PHPC	1	1
	11.94	16.67	54.76
	9	H	H14C	PHPC	1	1
	13.6	16.15	54.63
	10	C	C15	PHPC	1	1
	12.28	15.49	57.15
	11	H	H15A	PHPC	1	1
	12.62	15.27	58.17
	12	H	H15B	PHPC	1	1
	12.47	14.61	56.54
	13	H	H15C	PHPC	1	1
	11.23	15.7	57.21
	14	C	C12	PHPC	1	1
	12.58	17.92	57.37
	15	H	H12A	PHPC	1	1
	12.95	17.86	58.4
	16	H	H12B	PHPC	1	1
	11.51	17.98	57.41
	17	C	C11	PHPC	1	1
	13.06	19.27	56.84
	18	H	H11A	PHPC	1	1
	12.84	20.05	57.62
	19	H	H11B	PHPC	1	1
	12.59	19.58	55.88
	20	P	P	PHPC	1	1
	15.31	20.39	56.55
	21	O	O13	PHPC	1	1
	16.38	20.14	57.52
	22	O	O14	PHPC	1	1
	14.49	21.62	56.74
	23	O	O11	PHPC	1	1
	15.8	20.3	55.06
	24	O	O12	PHPC	1	1
	14.43	19.13	56.62
	25	C	C1	PHPC	1	1
	15.59	19.15	54.24
	26	H	HA	PHPC	1	1
	14.53	18.99	53.96
	27	H	HB	PHPC	1	1
	15.98	18.24	54.76
	28	C	C2	PHPC	1	1
	16.42	19.3	52.96
	29	H	HS	PHPC	1	1
	17.42	19.51	53.34
	30	O	O21	PHPC	1	1
	15.9	20.36	52.14
	31	C	C21	PHPC	1	1
	16.69	21.36	51.76
	32	O	O22	PHPC	1	1
	17.88	21.49	51.86
	33	C	C22	PHPC	1	1
	15.9	22.38	51.07
	34	H	H2R	PHPC	1	1
	15.55	23.11	51.84
	35	H	H2S	PHPC	1	1
	15.05	21.93	50.54
	36	C	C3	PHPC	1	1
	16.51	17.99	52.12
	37	H	HX	PHPC	1	1
	17	17.22	52.75
	38	H	HY	PHPC	1	1
	17.18	18.13	51.26
	39	O	O31	PHPC	1	1
	15.22	17.52	51.72
	40	C	C31	PHPC	1	1
	14.92	17.82	50.46
	41	O	O32	PHPC	1	1
	15.65	18.31	49.63
	42	C	C32	PHPC	1	1
	13.53	17.39	50.19
	43	H	H2X	PHPC	1	1
	13.18	16.76	51.02
	44	H	H2Y	PHPC	1	1
	13.56	16.81	49.25
	45	C	C23	PHPC	1	1
	16.85	23.08	50.1
	46	H	H3R	PHPC	1	1
	17.66	23.63	50.67
	47	C	C217	PHPC	1	1
	16.02	24.04	49.37
	48	H	H17R	PHPC	1	1
	15.23	24.4	50.06
	49	H	H17S	PHPC	1	1
	15.5	23.67	48.47
	50	H	H17T	PHPC	1	1
	16.71	24.83	49.03
	51	C	C24	PHPC	1	1
	17.48	22.26	48.99
	52	H	H4R	PHPC	1	1
	18.28	21.68	49.46
	53	H	H4S	PHPC	1	1
	18.03	23.02	48.39
	54	C	C25	PHPC	1	1
	16.43	21.5	48.1
	55	H	H5R	PHPC	1	1
	16.22	22.18	47.24
	56	H	H5S	PHPC	1	1
	15.51	21.29	48.66
	57	C	C26	PHPC	1	1
	16.94	20.17	47.52
	58	H	H6R	PHPC	1	1
	17.09	19.47	48.36
	59	H	H6S	PHPC	1	1
	17.84	20.64	47.18
	60	C	C27	PHPC	1	1
	16.32	19.19	46.49
	61	H	H7R	PHPC	1	1
	15.51	18.71	47.08
	62	C	C218	PHPC	1	1
	17.22	18.03	45.96
	63	H	H18R	PHPC	1	1
	16.68	17.48	45.16
	64	H	H18S	PHPC	1	1
	17.48	17.33	46.79
	65	H	H18T	PHPC	1	1
	18.17	18.3	45.47
	66	C	C28	PHPC	1	1
	15.62	19.9	45.37
	67	H	H8R	PHPC	1	1
	15.21	20.83	45.84
	68	H	H8S	PHPC	1	1
	14.78	19.33	44.96
	69	C	C29	PHPC	1	1
	16.47	20.25	44.2
	70	H	H9R	PHPC	1	1
	16.36	19.6	43.31
	71	H	H9S	PHPC	1	1
	17.55	20.23	44.45
	72	C	C210	PHPC	1	1
	15.91	21.59	43.86
	73	H	H10R	PHPC	1	1
	16.01	22.25	44.77
	74	H	H10S	PHPC	1	1
	14.86	21.67	43.54
	75	C	C211	PHPC	1	1
	16.76	22.26	42.9
	76	H	H11R	PHPC	1	1
	17.53	22.26	43.68
	77	C	C219	PHPC	1	1
	16.03	23.66	42.83
	78	H	H19R	PHPC	1	1
	16.72	24.12	43.56
	79	H	H19S	PHPC	1	1
	15.8	23.89	41.79
	80	H	H19T	PHPC	1	1
	16.35	24.72	42.73
	81	C	C212	PHPC	1	1
	17.74	21.45	41.94
	82	H	H12R	PHPC	1	1
	18.18	20.55	42.43
	83	H	H12S	PHPC	1	1
	18.68	21.93	41.64
	84	C	C213	PHPC	1	1
	17.06	21.14	40.69
	85	H	H13R	PHPC	1	1
	16.04	20.87	40.98
	86	H	H13S	PHPC	1	1
	17.61	20.31	40.16
	87	C	C214	PHPC	1	1
	17.02	22.35	39.83
	88	H	H14R	PHPC	1	1
	18.09	22.6	39.87
	89	H	H14S	PHPC	1	1
	16.66	23.29	40.25
	90	C	C215	PHPC	1	1
	16.16	21.93	38.57
	91	H	H15R	PHPC	1	1
	16.41	20.86	38.41
	92	C	C220	PHPC	1	1
	14.79	22.27	39
	93	H	H20R	PHPC	1	1
	14.12	21.88	38.21
	94	H	H20S	PHPC	1	1
	14.77	23.39	39.04
	95	H	H20T	PHPC	1	1
	14.58	21.87	39.99
	96	C	C216	PHPC	1	1
	15.93	22.53	37.13
	97	H	H16R	PHPC	1	1
	16.41	23.21	36.45
	98	H	H16S	PHPC	1	1
	16.74	21.97	36.65
	99	H	H16T	PHPC	1	1
	15.87	23.6	37.44
	100	C	C33	PHPC	1	1
	12.58	18.6	50.09
	101	H	H3X	PHPC	1	1
	12.96	19.29	49.3
	102	C	C317	PHPC	1	1
	12.54	19.36	51.42
	103	H	H17X	PHPC	1	1
	13.52	19.84	51.64
	104	H	H17Y	PHPC	1	1
	12.3	18.68	52.26
	105	H	H17Z	PHPC	1	1
	11.78	20.17	51.39
	106	C	C34	PHPC	1	1
	11.19	18.1	49.66
	107	H	H4X	PHPC	1	1
	10.51	18.97	49.6
	108	H	H4Y	PHPC	1	1
	10.8	17.42	50.45
	109	C	C35	PHPC	1	1
	11.18	17.34	48.32
	110	H	H5X	PHPC	1	1
	10.16	17.04	48.11
	111	H	H5Y	PHPC	1	1
	11.75	16.39	48.37
	112	C	C36	PHPC	1	1
	11.58	18.17	47.1
	113	H	H6X	PHPC	1	1
	12.66	18.42	47.17
	114	H	H6Y	PHPC	1	1
	11	19.12	47.12
	115	C	C37	PHPC	1	1
	11.32	17.52	45.72
	116	H	H7X	PHPC	1	1
	10.24	17.63	45.46
	117	C	C318	PHPC	1	1
	11.69	16.02	45.62
	118	H	H18X	PHPC	1	1
	11.08	15.4	46.31
	119	H	H18Y	PHPC	1	1
	12.76	15.85	45.85
	120	H	H18Z	PHPC	1	1
	11.5	15.67	44.59
	121	C	C38	PHPC	1	1
	12.05	18.27	44.63
	122	H	H8X	PHPC	1	1
	12.03	17.61	43.74
	123	H	H8Y	PHPC	1	1
	13.1	18.39	44.92
	124	C	C39	PHPC	1	1
	11.41	19.62	44.31
	125	H	H9X	PHPC	1	1
	11.64	20.33	45.14
	126	H	H9Y	PHPC	1	1
	10.3	19.53	44.28
	127	C	C310	PHPC	1	1
	11.96	20.14	42.98
	128	H	H10X	PHPC	1	1
	13.06	20.15	43.11
	129	H	H10Y	PHPC	1	1
	11.65	21.19	42.84
	130	C	C311	PHPC	1	1
	11.62	19.28	41.71
	131	H	H11X	PHPC	1	1
	11.78	18.21	41.93
	132	C	C319	PHPC	1	1
	10.21	19.33	41.24
	133	H	H19X	PHPC	1	1
	9.58	18.95	42.06
	134	H	H19Y	PHPC	1	1
	9.93	18.82	40.3
	135	H	H19Z	PHPC	1	1
	10.14	20.42	41
	136	C	C312	PHPC	1	1
	12.37	19.75	40.48
	137	H	H12X	PHPC	1	1
	12.26	20.85	40.36
	138	H	H12Y	PHPC	1	1
	11.89	19.27	39.59
	139	C	C313	PHPC	1	1
	13.8	19.31	40.55
	140	H	H13X	PHPC	1	1
	14.26	19.57	39.57
	141	H	H13Y	PHPC	1	1
	14.31	19.88	41.35
	142	C	C314	PHPC	1	1
	13.88	17.8	40.84
	143	H	H14X	PHPC	1	1
	13.09	17.29	40.24
	144	H	H14Y	PHPC	1	1
	13.66	17.61	41.91
	145	C	C315	PHPC	1	1
	15.22	17.15	40.52
	146	H	H15X	PHPC	1	1
	15.16	16.09	40.86
	147	C	C320	PHPC	1	1
	16.34	17.83	41.29
	148	H	H20X	PHPC	1	1
	16.49	18.83	40.88
	149	H	H20Y	PHPC	1	1
	17.3	17.27	41.22
	150	H	H20Z	PHPC	1	1
	16.05	17.93	42.36
	151	C	C316	PHPC	1	1
	15.43	17.19	39.01
	152	H	H16X	PHPC	1	1
	14.54	16.77	38.5
	153	H	H16Y	PHPC	1	1
	16.33	16.6	38.72
	154	H	H16Z	PHPC	1	1
	15.57	18.23	38.65

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

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

