# --------------------------------------------------------------------------
#
# 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 PNPI14.gro
#
#---------------------------------------------------------------------------

data_PNPI14

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

_entry.id	PNPI14

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

_chemical.entry_id	PNPI14
_chemical.name_common	'PNPI14'

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

_chemical_formula.entry_id	PNPI14
_chemical_formula.structural	'C43H84O16P2'

###############
## 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	PNPI14	1	1
	16.29	35.49	62.39
	2	H	H2	PNPI14	1	1
	16.11	36.53	62.01
	3	O	O2	PNPI14	1	1
	17.57	35.09	61.87
	4	H	HO2	PNPI14	1	1
	18.01	35.87	61.53
	5	C	C13	PNPI14	1	1
	16.2	35.56	63.92
	6	H	H3	PNPI14	1	1
	15.25	36.06	64.22
	7	O	O3	PNPI14	1	1
	17.27	36.38	64.37
	8	H	HO3	PNPI14	1	1
	18.05	35.8	64.53
	9	C	C14	PNPI14	1	1
	16.24	34.17	64.56
	10	H	H4	PNPI14	1	1
	17.17	33.67	64.31
	11	O	O4	PNPI14	1	1
	16.04	34.38	65.97
	12	P	P4	PNPI14	1	1
	17.01	33.69	67.13
	13	O	OP42	PNPI14	1	1
	18.43	33.93	66.8
	14	O	OP43	PNPI14	1	1
	16.55	32.26	67.14
	15	O	OP44	PNPI14	1	1
	16.59	34.34	68.44
	16	C	C15	PNPI14	1	1
	15.12	33.31	63.99
	17	H	H5	PNPI14	1	1
	14.16	33.79	64.27
	18	O	O5	PNPI14	1	1
	15.05	31.98	64.52
	19	H	HO5	PNPI14	1	1
	15.31	31.96	65.47
	20	C	C16	PNPI14	1	1
	15.2	33.22	62.47
	21	H	H6	PNPI14	1	1
	16.18	32.73	62.19
	22	O	O6	PNPI14	1	1
	14.06	32.47	61.99
	23	H	HO6	PNPI14	1	1
	14.27	32.14	61.11
	24	C	C11	PNPI14	1	1
	15.17	34.61	61.86
	25	H	H1	PNPI14	1	1
	14.2	35.05	62.19
	26	P	P	PNPI14	1	1
	14.32	35.46	59.49
	27	O	O13	PNPI14	1	1
	14.72	36.86	59.74
	28	O	O14	PNPI14	1	1
	12.92	35.1	59.83
	29	O	O12	PNPI14	1	1
	15.28	34.51	60.43
	30	O	O11	PNPI14	1	1
	14.71	34.96	58.05
	31	C	C1	PNPI14	1	1
	15.96	35.27	57.46
	32	H	HA	PNPI14	1	1
	16.15	34.55	56.62
	33	H	HB	PNPI14	1	1
	16.8	35.21	58.19
	34	C	C2	PNPI14	1	1
	15.94	36.69	56.87
	35	H	HS	PNPI14	1	1
	15.85	37.39	57.73
	36	O	O21	PNPI14	1	1
	14.82	36.81	55.98
	37	C	C21	PNPI14	1	1
	14.32	38.03	55.9
	38	O	O22	PNPI14	1	1
	14.74	39.01	56.48
	39	C	C22	PNPI14	1	1
	13.07	37.99	55.03
	40	H	H2R	PNPI14	1	1
	12.32	38.61	55.56
	41	H	H2S	PNPI14	1	1
	12.69	36.96	54.98
	42	C	C3	PNPI14	1	1
	17.29	36.97	56.15
	43	H	HX	PNPI14	1	1
	17.15	37.93	55.6
	44	H	HY	PNPI14	1	1
	18.01	37.16	56.98
	45	O	O31	PNPI14	1	1
	17.85	35.87	55.37
	46	C	C31	PNPI14	1	1
	17.31	35.63	54.17
	47	O	O32	PNPI14	1	1
	16.3	36.18	53.78
	48	C	C32	PNPI14	1	1
	18.23	34.63	53.33
	49	H	H2X	PNPI14	1	1
	17.84	33.65	53.57
	50	H	H2Y	PNPI14	1	1
	19.26	34.77	53.7
	51	C	C23	PNPI14	1	1
	13.31	38.7	53.67
	52	H	H3R	PNPI14	1	1
	14.04	39.53	53.8
	53	H	H3S	PNPI14	1	1
	12.36	39.16	53.33
	54	C	C24	PNPI14	1	1
	13.74	37.8	52.55
	55	H	H4R	PNPI14	1	1
	14.52	37.13	52.94
	56	H	H4S	PNPI14	1	1
	14.15	38.37	51.69
	57	C	C25	PNPI14	1	1
	12.62	36.93	52.02
	58	H	H5R	PNPI14	1	1
	11.97	37.56	51.37
	59	H	H5S	PNPI14	1	1
	11.98	36.52	52.83
	60	C	C26	PNPI14	1	1
	13.25	35.8	51.24
	61	H	H6R	PNPI14	1	1
	14.06	36.12	50.55
	62	H	H6S	PNPI14	1	1
	12.39	35.54	50.57
	63	C	C27	PNPI14	1	1
	13.78	34.66	52.19
	64	H	H7R	PNPI14	1	1
	13	34.41	52.94
	65	H	H7S	PNPI14	1	1
	14.68	35.01	52.72
	66	C	C28	PNPI14	1	1
	14.2	33.31	51.62
	67	H	H8R	PNPI14	1	1
	14.24	32.46	52.33
	68	H	H8S	PNPI14	1	1
	15.17	33.41	51.1
	69	C	C29	PNPI14	1	1
	13	33.22	50.8
	70	H	H91	PNPI14	1	1
	12.1	32.7	51.14
	71	C	C210	PNPI14	1	1
	13.12	33.53	49.55
	72	H	H101	PNPI14	1	1
	12.28	32.98	49.12
	73	C	C211	PNPI14	1	1
	14.46	33.93	48.85
	74	H	H11R	PNPI14	1	1
	15.11	33.22	48.29
	75	H	H11S	PNPI14	1	1
	15.46	33.62	49.28
	76	C	C212	PNPI14	1	1
	14.43	34.93	47.81
	77	H	H121	PNPI14	1	1
	15.35	35.38	48.12
	78	C	C213	PNPI14	1	1
	13.79	35.22	46.64
	79	H	H131	PNPI14	1	1
	14.28	36.02	46.08
	80	C	C214	PNPI14	1	1
	12.71	34.6	45.75
	81	H	H14R	PNPI14	1	1
	11.91	35.3	45.6
	82	H	H14S	PNPI14	1	1
	12.19	33.65	46.07
	83	C	C215	PNPI14	1	1
	13.35	34.1	44.5
	84	H	H151	PNPI14	1	1
	13.17	33.02	44.48
	85	C	C216	PNPI14	1	1
	13.6	34.43	43.26
	86	H	H161	PNPI14	1	1
	13.92	33.6	42.59
	87	C	C217	PNPI14	1	1
	13.1	35.73	42.7
	88	H	H17R	PNPI14	1	1
	13.74	36.58	42.62
	89	H	H17S	PNPI14	1	1
	12.35	36.09	43.46
	90	C	C218	PNPI14	1	1
	12.49	35.56	41.3
	91	H	H18R	PNPI14	1	1
	12.16	34.62	41.57
	92	H	H18S	PNPI14	1	1
	11.47	35.99	41.19
	93	H	H18T	PNPI14	1	1
	12.77	34.83	40.5
	94	C	C33	PNPI14	1	1
	18.31	34.64	51.73
	95	H	H3X	PNPI14	1	1
	19.07	35.43	51.41
	96	H	H3Y	PNPI14	1	1
	17.29	34.84	51.35
	97	C	C34	PNPI14	1	1
	18.96	33.6	50.91
	98	H	H4X	PNPI14	1	1
	18.27	32.74	50.97
	99	H	H4Y	PNPI14	1	1
	19.95	33.55	51.43
	100	C	C35	PNPI14	1	1
	19.14	34	49.44
	101	H	H5X	PNPI14	1	1
	19.66	35.01	49.37
	102	H	H5Y	PNPI14	1	1
	18.14	34	48.94
	103	C	C36	PNPI14	1	1
	19.9	33.07	48.63
	104	H	H6X	PNPI14	1	1
	19.78	32.05	49.02
	105	H	H6Y	PNPI14	1	1
	20.8	33.56	48.88
	106	C	C37	PNPI14	1	1
	19.85	33.21	47.17
	107	H	H7X	PNPI14	1	1
	18.84	32.88	46.86
	108	H	H7Y	PNPI14	1	1
	20.63	32.55	46.72
	109	C	C38	PNPI14	1	1
	20.05	34.65	46.71
	110	H	H8X	PNPI14	1	1
	20.96	35.21	46.97
	111	H	H8Y	PNPI14	1	1
	19.25	35.22	47.09
	112	C	C39	PNPI14	1	1
	19.87	34.53	45.25
	113	H	H9X	PNPI14	1	1
	19.11	33.84	44.86
	114	H	H9Y	PNPI14	1	1
	20.5	33.7	45.2
	115	C	C310	PNPI14	1	1
	20.03	35.64	44.22
	116	H	H10X	PNPI14	1	1
	21.1	35.97	44.03
	117	H	H10Y	PNPI14	1	1
	19.94	36.65	44.64
	118	C	C311	PNPI14	1	1
	19.01	35.06	42.91
	119	H	H11X	PNPI14	1	1
	19.48	34.41	42.22
	120	H	H11Y	PNPI14	1	1
	19.74	35.8	42.55
	121	C	C312	PNPI14	1	1
	17.13	35.27	42.58
	122	H	H12X	PNPI14	1	1
	16.43	36.14	43.01
	123	H	H12Y	PNPI14	1	1
	16.62	34.55	43.19
	124	C	C313	PNPI14	1	1
	16.3	35.96	41.5
	125	H	H13X	PNPI14	1	1
	16.46	36.98	41.05
	126	H	H13Y	PNPI14	1	1
	15.22	35.98	41.76
	127	C	C314	PNPI14	1	1
	16.77	34.85	40.79
	128	H	H14X	PNPI14	1	1
	17.89	35.05	40.75
	129	H	H14Y	PNPI14	1	1
	16.18	35.08	39.93
	130	C	C315	PNPI14	1	1
	16.5	33.44	41.28
	131	H	H15X	PNPI14	1	1
	15.45	33.59	41.59
	132	H	H15Y	PNPI14	1	1
	17.27	33.13	42.02
	133	C	C316	PNPI14	1	1
	16.5	32.32	40.36
	134	H	H16X	PNPI14	1	1
	15.56	32.6	39.82
	135	H	H16Y	PNPI14	1	1
	17.44	32.3	39.76
	136	H	H16Z	PNPI14	1	1
	16.35	31.28	40.58

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

_cell.entry_id	PNPI14
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

