# --------------------------------------------------------------------------
#
# 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 PNPI25.gro
#
#---------------------------------------------------------------------------

data_PNPI25

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

_entry.id	PNPI25

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

_chemical.entry_id	PNPI25
_chemical.name_common	'PNPI25'

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

_chemical_formula.entry_id	PNPI25
_chemical_formula.structural	'C43H79O19P3'

###############
## 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	PNPI25	1	1
	30.86	55.11	61.95
	2	H	H2	PNPI25	1	1
	31.64	55.49	61.22
	3	O	O2	PNPI25	1	1
	31.1	53.73	62.23
	4	H	HO2	PNPI25	1	1
	31.46	53.44	61.4
	5	C	C13	PNPI25	1	1
	31.08	55.89	63.16
	6	H	H3	PNPI25	1	1
	30.99	56.97	62.9
	7	O	O3	PNPI25	1	1
	32.51	55.65	63.32
	8	H	HO3	PNPI25	1	1
	32.92	56.1	64.08
	9	C	C14	PNPI25	1	1
	29.94	55.46	64.25
	10	H	H4	PNPI25	1	1
	30.07	54.39	64.42
	11	O	O4	PNPI25	1	1
	29.9	55.97	65.54
	12	P	P4	PNPI25	1	1
	30.39	55.77	67.05
	13	O	OP42	PNPI25	1	1
	29.67	54.55	67.58
	14	O	OP43	PNPI25	1	1
	31.86	55.47	66.89
	15	O	OP44	PNPI25	1	1
	30.08	57.1	67.73
	16	C	C15	PNPI25	1	1
	28.47	55.8	63.74
	17	H	H5	PNPI25	1	1
	28.42	56.85	63.54
	18	O	O5	PNPI25	1	1
	27.3	55.57	64.59
	19	P	P5	PNPI25	1	1
	26.06	56.67	64.96
	20	O	OP52	PNPI25	1	1
	25.15	56.26	63.91
	21	H	HP52	PNPI25	1	1
	25.5	56.39	63.03
	22	O	OP53	PNPI25	1	1
	26.69	58.01	64.7
	23	O	OP54	PNPI25	1	1
	25.36	56.42	66.28
	24	C	C16	PNPI25	1	1
	28.41	55.02	62.43
	25	H	H6	PNPI25	1	1
	28.52	53.94	62.7
	26	O	O6	PNPI25	1	1
	27.17	55.24	61.78
	27	H	HO6	PNPI25	1	1
	26.98	54.34	61.51
	28	C	C11	PNPI25	1	1
	29.51	55.35	61.41
	29	H	H1	PNPI25	1	1
	29.47	56.35	60.98
	30	P	P	PNPI25	1	1
	30.2	54.77	58.9
	31	O	O13	PNPI25	1	1
	31.59	54.4	59.2
	32	O	O14	PNPI25	1	1
	29.93	56.16	58.44
	33	O	O12	PNPI25	1	1
	29.36	54.54	60.28
	34	O	O11	PNPI25	1	1
	29.51	53.67	58.04
	35	C	C1	PNPI25	1	1
	28.67	52.64	58.61
	36	H	HA	PNPI25	1	1
	27.9	53.05	59.23
	37	H	HB	PNPI25	1	1
	29.16	52	59.37
	38	C	C2	PNPI25	1	1
	28	51.81	57.5
	39	H	HS	PNPI25	1	1
	27.52	50.91	57.95
	40	O	O21	PNPI25	1	1
	29.06	51.44	56.62
	41	C	C21	PNPI25	1	1
	28.79	50.57	55.72
	42	O	O22	PNPI25	1	1
	27.77	49.93	55.63
	43	C	C22	PNPI25	1	1
	29.97	50.4	54.83
	44	H	H2R	PNPI25	1	1
	30.57	49.58	55.27
	45	H	H2S	PNPI25	1	1
	30.55	51.35	54.82
	46	C	C3	PNPI25	1	1
	26.89	52.58	56.75
	47	H	HX	PNPI25	1	1
	26.29	51.9	56.11
	48	H	HY	PNPI25	1	1
	26.16	53	57.46
	49	O	O31	PNPI25	1	1
	27.47	53.64	55.99
	50	C	C31	PNPI25	1	1
	26.58	54.36	55.38
	51	O	O32	PNPI25	1	1
	25.37	54.2	55.42
	52	C	C32	PNPI25	1	1
	27.3	55.34	54.53
	53	H	H2X	PNPI25	1	1
	28.02	54.72	53.94
	54	H	H2Y	PNPI25	1	1
	27.88	56.08	55.11
	55	C	C23	PNPI25	1	1
	29.53	50.04	53.41
	56	H	H3R	PNPI25	1	1
	28.75	49.26	53.4
	57	H	H3S	PNPI25	1	1
	30.37	49.53	52.95
	58	C	C24	PNPI25	1	1
	29.2	51.29	52.58
	59	H	H4R	PNPI25	1	1
	29.6	51.16	51.54
	60	H	H4S	PNPI25	1	1
	29.51	52.22	53.07
	61	C	C25	PNPI25	1	1
	27.73	51.43	52.32
	62	H	H5R	PNPI25	1	1
	27.09	51.53	53.22
	63	H	H5S	PNPI25	1	1
	27.73	50.43	51.82
	64	C	C26	PNPI25	1	1
	27.24	52.57	51.41
	65	H	H6R	PNPI25	1	1
	27.32	52.16	50.37
	66	H	H6S	PNPI25	1	1
	27.82	53.45	51.68
	67	C	C27	PNPI25	1	1
	25.8	53.08	51.59
	68	H	H7R	PNPI25	1	1
	25.23	53.28	52.52
	69	H	H7S	PNPI25	1	1
	25.65	52.05	51.76
	70	C	C28	PNPI25	1	1
	25.08	53.57	50.29
	71	H	H8R	PNPI25	1	1
	25.19	54.63	50.13
	72	H	H8S	PNPI25	1	1
	24.01	53.59	50.6
	73	C	C29	PNPI25	1	1
	25.38	52.82	48.96
	74	H	H91	PNPI25	1	1
	25.36	51.73	48.86
	75	C	C210	PNPI25	1	1
	25.63	53.21	47.77
	76	H	H101	PNPI25	1	1
	25.81	52.46	47
	77	C	C211	PNPI25	1	1
	25.71	54.56	47.32
	78	H	H11R	PNPI25	1	1
	26.74	54.54	46.94
	79	H	H11S	PNPI25	1	1
	25.59	55.21	48.2
	80	C	C212	PNPI25	1	1
	24.66	54.75	46.28
	81	H	H121	PNPI25	1	1
	23.75	55.25	46.66
	82	C	C213	PNPI25	1	1
	24.77	54.36	44.99
	83	H	H131	PNPI25	1	1
	23.95	54.62	44.32
	84	C	C214	PNPI25	1	1
	25.97	53.68	44.34
	85	H	H14R	PNPI25	1	1
	26.9	53.8	44.94
	86	H	H14S	PNPI25	1	1
	26.17	54.13	43.36
	87	C	C215	PNPI25	1	1
	25.85	52.21	44.2
	88	H	H151	PNPI25	1	1
	25.76	51.8	45.19
	89	C	C216	PNPI25	1	1
	25.9	51.38	43.14
	90	H	H161	PNPI25	1	1
	25.87	50.29	43.33
	91	C	C217	PNPI25	1	1
	26.09	51.82	41.72
	92	H	H17R	PNPI25	1	1
	26.94	51.25	41.29
	93	H	H17S	PNPI25	1	1
	26.4	52.89	41.66
	94	C	C218	PNPI25	1	1
	24.78	51.69	40.9
	95	H	H18R	PNPI25	1	1
	24.94	51.98	39.84
	96	H	H18S	PNPI25	1	1
	24.33	50.69	40.85
	97	H	H18T	PNPI25	1	1
	23.95	52.23	41.38
	98	C	C33	PNPI25	1	1
	26.36	56.04	53.58
	99	H	H3X	PNPI25	1	1
	25.88	56.93	54.05
	100	H	H3Y	PNPI25	1	1
	25.55	55.37	53.2
	101	C	C34	PNPI25	1	1
	27.27	56.43	52.45
	102	H	H4X	PNPI25	1	1
	27.8	55.56	52
	103	H	H4Y	PNPI25	1	1
	28.01	57.18	52.82
	104	C	C35	PNPI25	1	1
	26.56	57.06	51.35
	105	H	H5X	PNPI25	1	1
	25.88	57.87	51.74
	106	H	H5Y	PNPI25	1	1
	26.05	56.38	50.64
	107	C	C36	PNPI25	1	1
	27.52	57.81	50.58
	108	H	H6X	PNPI25	1	1
	27.85	58.64	51.26
	109	H	H6Y	PNPI25	1	1
	26.8	58.04	49.75
	110	C	C37	PNPI25	1	1
	28.67	57.34	49.77
	111	H	H7X	PNPI25	1	1
	29.51	57.12	50.45
	112	H	H7Y	PNPI25	1	1
	28.9	58.2	49.11
	113	C	C38	PNPI25	1	1
	28.31	56.28	48.76
	114	H	H8X	PNPI25	1	1
	27.75	56.77	47.92
	115	H	H8Y	PNPI25	1	1
	27.69	55.56	49.3
	116	C	C39	PNPI25	1	1
	29.55	55.55	48.28
	117	H	H9X	PNPI25	1	1
	30.29	55.31	49.06
	118	H	H9Y	PNPI25	1	1
	29.93	56.38	47.81
	119	C	C310	PNPI25	1	1
	29.5	54.75	46.99
	120	H	H10X	PNPI25	1	1
	28.88	55.29	46.25
	121	H	H10Y	PNPI25	1	1
	29	53.83	47.35
	122	C	C311	PNPI25	1	1
	30.84	54.37	46.31
	123	H	H11X	PNPI25	1	1
	31.43	53.82	47.08
	124	H	H11Y	PNPI25	1	1
	31.49	55.19	45.96
	125	C	C312	PNPI25	1	1
	30.55	53.45	45.11
	126	H	H12X	PNPI25	1	1
	29.74	52.77	45.46
	127	H	H12Y	PNPI25	1	1
	31.44	52.83	44.88
	128	C	C313	PNPI25	1	1
	30.05	54.13	43.81
	129	H	H13X	PNPI25	1	1
	29.86	55.21	43.95
	130	H	H13Y	PNPI25	1	1
	29.09	53.64	43.52
	131	C	C314	PNPI25	1	1
	31.02	53.96	42.63
	132	H	H14X	PNPI25	1	1
	30.89	52.92	42.26
	133	H	H14Y	PNPI25	1	1
	32.06	54.05	43.02
	134	C	C315	PNPI25	1	1
	30.85	55.02	41.51
	135	H	H15X	PNPI25	1	1
	31.46	54.75	40.62
	136	H	H15Y	PNPI25	1	1
	31.26	55.98	41.9
	137	C	C316	PNPI25	1	1
	29.42	55.29	41.02
	138	H	H16X	PNPI25	1	1
	29.03	54.42	40.47
	139	H	H16Y	PNPI25	1	1
	28.75	55.52	41.88
	140	H	H16Z	PNPI25	1	1
	29.42	56.16	40.34

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

_cell.entry_id	PNPI25
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

