# --------------------------------------------------------------------------
#
# 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 PNPI33.gro
#
#---------------------------------------------------------------------------

data_PNPI33

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

_entry.id	PNPI33

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

_chemical.entry_id	PNPI33
_chemical.name_common	'PNPI33'

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

_chemical_formula.entry_id	PNPI33
_chemical_formula.structural	'C43H82O22P4'

###############
## 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	PNPI33	1	1
	25.7	13.52	62.12
	2	H	H2	PNPI33	1	1
	26.71	13.27	61.71
	3	O	O2	PNPI33	1	1
	24.74	12.71	61.46
	4	H	HO2	PNPI33	1	1
	24.91	11.8	61.75
	5	C	C13	PNPI33	1	1
	25.79	13.21	63.6
	6	H	H3	PNPI33	1	1
	26.6	13.87	64.03
	7	O	O3	PNPI33	1	1
	26.08	11.8	63.7
	8	P	P3	PNPI33	1	1
	27.6	11.4	64.03
	9	O	OP32	PNPI33	1	1
	28	10.94	62.55
	10	H	HP32	PNPI33	1	1
	27.75	10.04	62.34
	11	O	OP33	PNPI33	1	1
	28.48	12.55	64.49
	12	O	OP34	PNPI33	1	1
	27.69	10.24	64.94
	13	C	C14	PNPI33	1	1
	24.53	13.6	64.34
	14	H	H4	PNPI33	1	1
	23.69	13.02	63.88
	15	O	O4	PNPI33	1	1
	24.8	13.27	65.72
	16	P	P4	PNPI33	1	1
	23.72	12.31	66.51
	17	O	OP42	PNPI33	1	1
	22.48	13.16	66.79
	18	O	OP43	PNPI33	1	1
	24.37	11.81	67.83
	19	O	OP44	PNPI33	1	1
	23.45	11.13	65.57
	20	C	C15	PNPI33	1	1
	24.25	15.1	64.17
	21	H	H5	PNPI33	1	1
	25.13	15.63	64.58
	22	O	O5	PNPI33	1	1
	23.04	15.47	64.87
	23	P	P5	PNPI33	1	1
	23.08	16.56	66.17
	24	O	OP52	PNPI33	1	1
	23.41	17.93	65.57
	25	O	OP53	PNPI33	1	1
	21.67	16.57	66.79
	26	O	OP54	PNPI33	1	1
	24.14	16.2	67.2
	27	C	C16	PNPI33	1	1
	24.15	15.41	62.66
	28	H	H6	PNPI33	1	1
	23.31	14.8	62.26
	29	O	O6	PNPI33	1	1
	23.88	16.81	62.44
	30	H	HO6	PNPI33	1	1
	23.16	16.91	61.82
	31	C	C11	PNPI33	1	1
	25.43	15	61.92
	32	H	H1	PNPI33	1	1
	26.23	15.59	62.45
	33	P	P	PNPI33	1	1
	26.95	15.63	59.82
	34	O	O13	PNPI33	1	1
	27.91	14.51	59.99
	35	O	O14	PNPI33	1	1
	27.4	16.91	60.42
	36	O	O12	PNPI33	1	1
	25.46	15.27	60.5
	37	O	O11	PNPI33	1	1
	26.67	15.78	58.27
	38	C	C1	PNPI33	1	1
	26.46	14.65	57.41
	39	H	HA	PNPI33	1	1
	25.53	14.81	56.81
	40	H	HB	PNPI33	1	1
	26.34	13.7	57.97
	41	C	C2	PNPI33	1	1
	27.62	14.44	56.4
	42	H	HS	PNPI33	1	1
	28.59	14.33	56.95
	43	O	O21	PNPI33	1	1
	27.63	15.58	55.54
	44	C	C21	PNPI33	1	1
	28.77	15.97	55.08
	45	O	O22	PNPI33	1	1
	29.87	15.47	55.2
	46	C	C22	PNPI33	1	1
	28.49	17.26	54.36
	47	H	H2R	PNPI33	1	1
	29.32	17.87	54.6
	48	H	H2S	PNPI33	1	1
	27.66	17.82	54.8
	49	C	C3	PNPI33	1	1
	27.4	13.19	55.55
	50	H	HX	PNPI33	1	1
	27.47	12.27	56.18
	51	H	HY	PNPI33	1	1
	26.33	13.25	55.22
	52	O	O31	PNPI33	1	1
	28.38	13.19	54.46
	53	C	C31	PNPI33	1	1
	27.87	12.78	53.34
	54	O	O32	PNPI33	1	1
	26.74	12.33	53.25
	55	C	C32	PNPI33	1	1
	28.92	12.81	52.16
	56	H	H2X	PNPI33	1	1
	29.6	11.95	52.04
	57	H	H2Y	PNPI33	1	1
	29.62	13.62	52.34
	58	C	C23	PNPI33	1	1
	28.35	16.98	52.86
	59	H	H3R	PNPI33	1	1
	29.02	16.15	52.54
	60	H	H3S	PNPI33	1	1
	28.63	17.88	52.27
	61	C	C24	PNPI33	1	1
	26.9	16.59	52.6
	62	H	H4R	PNPI33	1	1
	26.29	16.8	53.52
	63	H	H4S	PNPI33	1	1
	26.89	15.5	52.44
	64	C	C25	PNPI33	1	1
	26.31	17.31	51.39
	65	H	H5R	PNPI33	1	1
	27.08	17.22	50.59
	66	H	H5S	PNPI33	1	1
	26.14	18.38	51.62
	67	C	C26	PNPI33	1	1
	25	16.68	50.91
	68	H	H6R	PNPI33	1	1
	24.28	16.69	51.76
	69	H	H6S	PNPI33	1	1
	25.19	15.63	50.62
	70	C	C27	PNPI33	1	1
	24.39	17.42	49.71
	71	H	H7R	PNPI33	1	1
	25.19	17.58	48.95
	72	H	H7S	PNPI33	1	1
	24	18.41	50.03
	73	C	C28	PNPI33	1	1
	23.29	16.62	48.99
	74	H	H8R	PNPI33	1	1
	22.4	16.51	49.65
	75	H	H8S	PNPI33	1	1
	23.68	15.62	48.75
	76	C	C29	PNPI33	1	1
	22.91	17.33	47.74
	77	H	H91	PNPI33	1	1
	22.33	18.23	47.95
	78	C	C210	PNPI33	1	1
	23.01	16.9	46.46
	79	H	H101	PNPI33	1	1
	22.58	17.47	45.62
	80	C	C211	PNPI33	1	1
	23.54	15.58	46.01
	81	H	H11R	PNPI33	1	1
	23.07	15.26	45.05
	82	H	H11S	PNPI33	1	1
	23.12	14.86	46.73
	83	C	C212	PNPI33	1	1
	25.04	15.42	46.01
	84	H	H121	PNPI33	1	1
	25.34	14.51	46.51
	85	C	C213	PNPI33	1	1
	26.02	16.26	45.61
	86	H	H131	PNPI33	1	1
	27.07	15.93	45.73
	87	C	C214	PNPI33	1	1
	25.86	17.65	45.05
	88	H	H14R	PNPI33	1	1
	26.49	18.34	45.67
	89	H	H14S	PNPI33	1	1
	24.83	18.01	45.18
	90	C	C215	PNPI33	1	1
	26.07	17.91	43.6
	91	H	H151	PNPI33	1	1
	25.29	17.61	42.9
	92	C	C216	PNPI33	1	1
	27.23	18.27	43.08
	93	H	H161	PNPI33	1	1
	27.37	18.41	42
	94	C	C217	PNPI33	1	1
	28.48	18.45	43.78
	95	H	H17R	PNPI33	1	1
	28.56	18.11	44.84
	96	H	H17S	PNPI33	1	1
	28.46	19.54	43.85
	97	C	C218	PNPI33	1	1
	29.55	17.7	42.91
	98	H	H18R	PNPI33	1	1
	29.55	17.95	41.82
	99	H	H18S	PNPI33	1	1
	30.65	17.75	42.95
	100	H	H18T	PNPI33	1	1
	29.76	16.7	43.31
	101	C	C33	PNPI33	1	1
	28.16	12.84	50.82
	102	H	H3X	PNPI33	1	1
	27.39	13.62	50.92
	103	H	H3Y	PNPI33	1	1
	27.63	11.88	50.62
	104	C	C34	PNPI33	1	1
	29.07	13.13	49.63
	105	H	H4X	PNPI33	1	1
	29.78	12.27	49.49
	106	H	H4Y	PNPI33	1	1
	29.65	14.04	49.87
	107	C	C35	PNPI33	1	1
	28.27	13.37	48.34
	108	H	H5X	PNPI33	1	1
	28.91	13.91	47.6
	109	H	H5Y	PNPI33	1	1
	27.4	14.03	48.57
	110	C	C36	PNPI33	1	1
	27.74	12.06	47.76
	111	H	H6X	PNPI33	1	1
	27.35	11.42	48.58
	112	H	H6Y	PNPI33	1	1
	28.6	11.51	47.3
	113	C	C37	PNPI33	1	1
	26.62	12.26	46.74
	114	H	H7X	PNPI33	1	1
	26.91	13.09	46.05
	115	H	H7Y	PNPI33	1	1
	25.66	12.52	47.23
	116	C	C38	PNPI33	1	1
	26.43	11.01	45.91
	117	H	H8X	PNPI33	1	1
	26.03	10.18	46.54
	118	H	H8Y	PNPI33	1	1
	27.45	10.74	45.58
	119	C	C39	PNPI33	1	1
	25.45	11.21	44.75
	120	H	H9X	PNPI33	1	1
	24.49	11.54	45.19
	121	H	H9Y	PNPI33	1	1
	25.28	10.21	44.27
	122	C	C310	PNPI33	1	1
	25.85	12.2	43.64
	123	H	H10X	PNPI33	1	1
	25.87	13.26	43.95
	124	H	H10Y	PNPI33	1	1
	25.07	12.09	42.87
	125	C	C311	PNPI33	1	1
	27.19	11.81	43.04
	126	H	H11X	PNPI33	1	1
	26.95	10.89	42.51
	127	H	H11Y	PNPI33	1	1
	27.99	11.75	43.8
	128	C	C312	PNPI33	1	1
	27.73	12.57	41.86
	129	H	H12X	PNPI33	1	1
	27.61	13.55	42.29
	130	H	H12Y	PNPI33	1	1
	26.96	12.44	41.08
	131	C	C313	PNPI33	1	1
	29.24	12.23	41.5
	132	H	H13X	PNPI33	1	1
	29.37	11.14	41.48
	133	H	H13Y	PNPI33	1	1
	29.85	12.68	42.32
	134	C	C314	PNPI33	1	1
	29.93	12.55	40.1
	135	H	H14X	PNPI33	1	1
	29.55	11.98	39.26
	136	H	H14Y	PNPI33	1	1
	31	12.46	40.06
	137	C	C315	PNPI33	1	1
	29.96	13.94	39.39
	138	H	H15X	PNPI33	1	1
	30.84	14.31	39.02
	139	H	H15Y	PNPI33	1	1
	30.57	14.18	40.38
	140	C	C316	PNPI33	1	1
	27.67	16.03	38.94
	141	H	H16X	PNPI33	1	1
	27.97	16.92	39.04
	142	H	H16Y	PNPI33	1	1
	28.21	15.93	38.15
	143	H	H16Z	PNPI33	1	1
	27.24	15.65	39.94

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

_cell.entry_id	PNPI33
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

