# --------------------------------------------------------------------------
#
# 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 PNPI34.gro
#
#---------------------------------------------------------------------------

data_PNPI34

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

_entry.id	PNPI34

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

_chemical.entry_id	PNPI34
_chemical.name_common	'PNPI34'

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

_chemical_formula.entry_id	PNPI34
_chemical_formula.structural	'C43H84O22P4'

###############
## 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	PNPI34	1	1
	32.25	27.97	62.61
	2	H	H2	PNPI34	1	1
	33	27.19	62.31
	3	O	O2	PNPI34	1	1
	30.98	27.52	62.14
	4	H	HO2	PNPI34	1	1
	31.24	26.81	61.55
	5	C	C13	PNPI34	1	1
	32.31	28.09	64.13
	6	H	H3	PNPI34	1	1
	33.35	28.36	64.4
	7	O	O3	PNPI34	1	1
	32	26.83	64.7
	8	P	P3	PNPI34	1	1
	32.75	25.4	64.71
	9	O	OP32	PNPI34	1	1
	32.65	24.89	63.29
	10	O	OP33	PNPI34	1	1
	31.89	24.46	65.55
	11	O	OP34	PNPI34	1	1
	34.15	25.59	65.22
	12	C	C14	PNPI34	1	1
	31.38	29.23	64.62
	13	H	H4	PNPI34	1	1
	30.34	29.03	64.29
	14	O	O4	PNPI34	1	1
	31.31	29.33	66.06
	15	P	P4	PNPI34	1	1
	32.55	29.25	67.14
	16	O	OP42	PNPI34	1	1
	33.88	30.06	66.72
	17	H	HP42	PNPI34	1	1
	33.52	30.94	66.42
	18	O	OP43	PNPI34	1	1
	32.23	29.72	68.57
	19	O	OP44	PNPI34	1	1
	32.97	27.81	67.34
	20	C	C15	PNPI34	1	1
	31.77	30.56	63.95
	21	H	H5	PNPI34	1	1
	32.81	30.83	64.25
	22	O	O5	PNPI34	1	1
	30.79	31.57	64.31
	23	P	P5	PNPI34	1	1
	31.35	32.87	65.19
	24	O	OP52	PNPI34	1	1
	32.23	32.34	66.31
	25	O	OP53	PNPI34	1	1
	32.21	33.48	64.1
	26	O	OP54	PNPI34	1	1
	30.22	33.77	65.66
	27	C	C16	PNPI34	1	1
	31.73	30.42	62.43
	28	H	H6	PNPI34	1	1
	30.69	30.17	62.11
	29	O	O6	PNPI34	1	1
	32.17	31.62	61.78
	30	H	HO6	PNPI34	1	1
	32.9	32	62.28
	31	C	C11	PNPI34	1	1
	32.64	29.29	61.97
	32	H	H1	PNPI34	1	1
	33.66	29.57	62.35
	33	P	P	PNPI34	1	1
	33.87	28.5	59.71
	34	O	O13	PNPI34	1	1
	33.84	27.05	59.96
	35	O	O14	PNPI34	1	1
	35.13	29.25	59.97
	36	O	O12	PNPI34	1	1
	32.63	29.21	60.53
	37	O	O11	PNPI34	1	1
	33.44	28.78	58.2
	38	C	C1	PNPI34	1	1
	32.11	28.67	57.67
	39	H	HA	PNPI34	1	1
	31.68	29.69	57.57
	40	H	HB	PNPI34	1	1
	31.45	28.08	58.34
	41	C	C2	PNPI34	1	1
	32.17	27.99	56.26
	42	H	HS	PNPI34	1	1
	32.85	27.11	56.36
	43	O	O21	PNPI34	1	1
	32.71	28.94	55.33
	44	C	C21	PNPI34	1	1
	33	28.59	54.12
	45	O	O22	PNPI34	1	1
	33.02	27.47	53.64
	46	C	C22	PNPI34	1	1
	33.48	29.82	53.44
	47	H	H2R	PNPI34	1	1
	34.1	30.48	54.08
	48	H	H2S	PNPI34	1	1
	32.65	30.45	53.27
	49	C	C3	PNPI34	1	1
	30.81	27.49	55.75
	50	H	HX	PNPI34	1	1
	30.98	26.87	54.83
	51	H	HY	PNPI34	1	1
	30.32	26.81	56.49
	52	O	O31	PNPI34	1	1
	30.01	28.67	55.49
	53	C	C31	PNPI34	1	1
	28.96	28.37	54.78
	54	O	O32	PNPI34	1	1
	28.57	27.24	54.56
	55	C	C32	PNPI34	1	1
	28.35	29.6	54.17
	56	H	H2X	PNPI34	1	1
	29.08	30.42	54.14
	57	H	H2Y	PNPI34	1	1
	27.46	29.92	54.76
	58	C	C23	PNPI34	1	1
	34.12	29.48	52.15
	59	H	H3R	PNPI34	1	1
	33.42	29.24	51.31
	60	H	H3S	PNPI34	1	1
	34.81	28.6	52.25
	61	C	C24	PNPI34	1	1
	34.91	30.67	51.81
	62	H	H4R	PNPI34	1	1
	35.58	31.02	52.64
	63	H	H4S	PNPI34	1	1
	34.37	31.55	51.39
	64	C	C25	PNPI34	1	1
	35.75	30.09	50.77
	65	H	H5R	PNPI34	1	1
	36.37	29.27	51.16
	66	H	H5S	PNPI34	1	1
	36.45	30.96	50.86
	67	C	C26	PNPI34	1	1
	35.03	29.68	49.39
	68	H	H6R	PNPI34	1	1
	34.45	28.76	49.49
	69	H	H6S	PNPI34	1	1
	35.67	29.18	48.65
	70	C	C27	PNPI34	1	1
	34.49	30.88	48.52
	71	H	H7R	PNPI34	1	1
	34.95	31.89	48.49
	72	H	H7S	PNPI34	1	1
	33.91	31.23	49.28
	73	C	C28	PNPI34	1	1
	34.14	30.63	47.02
	74	H	H8R	PNPI34	1	1
	33.42	29.79	47.12
	75	H	H8S	PNPI34	1	1
	35.07	30.36	46.51
	76	C	C29	PNPI34	1	1
	33.54	31.72	46.18
	77	H	H91	PNPI34	1	1
	33.58	32.69	46.65
	78	C	C210	PNPI34	1	1
	32.61	31.56	45.25
	79	H	H101	PNPI34	1	1
	31.94	32.42	45.07
	80	C	C211	PNPI34	1	1
	32.11	30.18	44.93
	81	H	H11R	PNPI34	1	1
	31.64	29.65	45.79
	82	H	H11S	PNPI34	1	1
	33	29.58	44.66
	83	C	C212	PNPI34	1	1
	31.12	30.17	43.81
	84	H	H121	PNPI34	1	1
	30.64	31.14	43.57
	85	C	C213	PNPI34	1	1
	30.81	29.07	43.11
	86	H	H131	PNPI34	1	1
	29.99	29.14	42.39
	87	C	C214	PNPI34	1	1
	31.37	27.68	43.31
	88	H	H14R	PNPI34	1	1
	30.55	27.1	43.77
	89	H	H14S	PNPI34	1	1
	32.18	27.64	44.07
	90	C	C215	PNPI34	1	1
	31.86	26.97	42.06
	91	H	H151	PNPI34	1	1
	31.17	26.24	41.61
	92	C	C216	PNPI34	1	1
	33.06	27.11	41.47
	93	H	H161	PNPI34	1	1
	33.26	26.45	40.6
	94	C	C217	PNPI34	1	1
	34.19	28.02	41.93
	95	H	H17R	PNPI34	1	1
	34.71	27.6	42.81
	96	H	H17S	PNPI34	1	1
	33.83	28.93	42.45
	97	C	C218	PNPI34	1	1
	35.24	28.37	40.85
	98	H	H18R	PNPI34	1	1
	35.4	27.59	40.06
	99	H	H18S	PNPI34	1	1
	34.96	29.23	40.31
	100	H	H18T	PNPI34	1	1
	36.22	28.64	41.29
	101	C	C33	PNPI34	1	1
	27.93	29.24	52.73
	102	H	H3X	PNPI34	1	1
	27.42	30.13	52.4
	103	H	H3Y	PNPI34	1	1
	27.15	28.46	52.69
	104	C	C34	PNPI34	1	1
	29.11	28.77	51.84
	105	H	H4X	PNPI34	1	1
	29.4	27.75	52.15
	106	H	H4Y	PNPI34	1	1
	29.96	29.39	52.03
	107	C	C35	PNPI34	1	1
	28.89	28.69	50.33
	108	H	H5X	PNPI34	1	1
	28.68	29.69	50.01
	109	H	H5Y	PNPI34	1	1
	28.04	28.01	50.16
	110	C	C36	PNPI34	1	1
	30.02	28.54	49.32
	111	H	H6X	PNPI34	1	1
	30.72	29.39	49.29
	112	H	H6Y	PNPI34	1	1
	29.62	28.54	48.28
	113	C	C37	PNPI34	1	1
	30.91	27.38	49.64
	114	H	H7X	PNPI34	1	1
	30.29	26.46	49.62
	115	H	H7Y	PNPI34	1	1
	31.3	27.55	50.67
	116	C	C38	PNPI34	1	1
	32.01	27.34	48.58
	117	H	H8X	PNPI34	1	1
	32.89	26.82	48.99
	118	H	H8Y	PNPI34	1	1
	32.34	28.38	48.35
	119	C	C39	PNPI34	1	1
	31.52	26.62	47.31
	120	H	H9X	PNPI34	1	1
	32.31	26.76	46.54
	121	H	H9Y	PNPI34	1	1
	30.6	27.11	46.93
	122	C	C310	PNPI34	1	1
	31.17	25.14	47.57
	123	H	H10X	PNPI34	1	1
	30.07	25.09	47.72
	124	H	H10Y	PNPI34	1	1
	31.62	24.77	48.52
	125	C	C311	PNPI34	1	1
	31.36	24.18	46.4
	126	H	H11X	PNPI34	1	1
	30.74	24.55	45.58
	127	H	H11Y	PNPI34	1	1
	30.98	23.15	46.67
	128	C	C312	PNPI34	1	1
	32.74	24.07	45.82
	129	H	H12X	PNPI34	1	1
	33.2	23.35	46.46
	130	H	H12Y	PNPI34	1	1
	33.39	24.94	45.67
	131	C	C313	PNPI34	1	1
	32.81	23.19	44.66
	132	H	H13X	PNPI34	1	1
	32.2	22.43	45.16
	133	H	H13Y	PNPI34	1	1
	33.84	22.71	44.69
	134	C	C314	PNPI34	1	1
	32.07	23.78	43.33
	135	H	H14X	PNPI34	1	1
	32.65	24.71	43.31
	136	H	H14Y	PNPI34	1	1
	31.06	23.86	43.77
	137	C	C315	PNPI34	1	1
	31.79	23.19	41.73
	138	H	H15X	PNPI34	1	1
	32.89	23.34	41.7
	139	H	H15Y	PNPI34	1	1
	31.95	23.69	40.8
	140	C	C316	PNPI34	1	1
	31.07	21.8	41.06
	141	H	H16X	PNPI34	1	1
	31.2	20.66	41.17
	142	H	H16Y	PNPI34	1	1
	31.49	20.83	41.45
	143	H	H16Z	PNPI34	1	1
	30.61	21.67	40.18

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

_cell.entry_id	PNPI34
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

