# --------------------------------------------------------------------------
#
# 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 PNPI2A.gro
#
#---------------------------------------------------------------------------

data_PNPI2A

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

_entry.id	PNPI2A

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

_chemical.entry_id	PNPI2A
_chemical.name_common	'PNPI2A'

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

_chemical_formula.entry_id	PNPI2A
_chemical_formula.structural	'C43H89O19P3'

###############
## 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	PNPI2A	1	1
	63.38	39.25	62.31
	2	H	H2	PNPI2A	1	1
	63.03	40.3	62
	3	O	O2	PNPI2A	1	1
	64.68	39.05	61.69
	4	H	HO2	PNPI2A	1	1
	64.94	39.8	61.21
	5	C	C13	PNPI2A	1	1
	63.25	39.26	63.8
	6	H	H3	PNPI2A	1	1
	62.54	40.09	64.01
	7	O	O3	PNPI2A	1	1
	64.49	38.37	63.99
	8	P	P3	PNPI2A	1	1
	64.66	36.33	64.47
	9	O	OP32	PNPI2A	1	1
	65.98	36.37	64.01
	10	H	HP32	PNPI2A	1	1
	65.49	36.78	63.26
	11	O	OP33	PNPI2A	1	1
	64.43	35.88	65.91
	12	O	OP34	PNPI2A	1	1
	64.12	35.18	63.62
	13	C	C14	PNPI2A	1	1
	63.32	38.41	65.02
	14	H	H4	PNPI2A	1	1
	64.27	38.25	65.9
	15	O	O4	PNPI2A	1	1
	63.14	38.74	66.36
	16	H	HO4	PNPI2A	1	1
	62.19	38.74	66.27
	17	C	C15	PNPI2A	1	1
	62.17	37.49	64.4
	18	H	H5	PNPI2A	1	1
	61.33	37.78	63.84
	19	O	O5	PNPI2A	1	1
	61	37.91	65.19
	20	P	P5	PNPI2A	1	1
	60.34	39.53	65.69
	21	O	OP52	PNPI2A	1	1
	60.93	40.74	65.04
	22	O	OP53	PNPI2A	1	1
	58.85	39.76	65.45
	23	O	OP54	PNPI2A	1	1
	60.69	39.53	67.16
	24	C	C16	PNPI2A	1	1
	62.52	37.04	62.69
	25	H	H6	PNPI2A	1	1
	63.58	36.89	62.3
	26	O	O6	PNPI2A	1	1
	61.88	35.91	62.19
	27	H	HO6	PNPI2A	1	1
	60.99	36.11	62.35
	28	C	C11	PNPI2A	1	1
	62.37	38.29	61.9
	29	H	H1	PNPI2A	1	1
	61.34	38.56	62.11
	30	P	P	PNPI2A	1	1
	61.87	39.18	59.53
	31	O	O13	PNPI2A	1	1
	62.38	40.55	59.61
	32	O	O14	PNPI2A	1	1
	60.42	39	59.72
	33	O	O12	PNPI2A	1	1
	62.55	38.1	60.5
	34	O	O11	PNPI2A	1	1
	62.23	38.59	58.12
	35	C	C1	PNPI2A	1	1
	62.02	37.19	57.86
	36	H	HA	PNPI2A	1	1
	61.28	36.73	58.55
	37	H	HB	PNPI2A	1	1
	62.97	36.63	57.97
	38	C	C2	PNPI2A	1	1
	61.51	36.99	56.42
	39	H	HS	PNPI2A	1	1
	61.33	35.91	56.25
	40	O	O21	PNPI2A	1	1
	62.56	37.53	55.58
	41	C	C21	PNPI2A	1	1
	62.6	37.19	54.31
	42	O	O22	PNPI2A	1	1
	61.74	36.66	53.67
	43	C	C22	PNPI2A	1	1
	63.84	37.62	53.62
	44	H	H2R	PNPI2A	1	1
	64.59	36.81	53.71
	45	H	H2S	PNPI2A	1	1
	64.15	38.55	54.14
	46	C	C3	PNPI2A	1	1
	60.15	37.67	56.2
	47	H	HX	PNPI2A	1	1
	59.36	37.37	56.91
	48	H	HY	PNPI2A	1	1
	60.41	38.7	56.37
	49	O	O31	PNPI2A	1	1
	59.68	37.48	54.88
	50	C	C31	PNPI2A	1	1
	59.06	38.53	54.45
	51	O	O32	PNPI2A	1	1
	58.72	39.46	55.17
	52	C	C32	PNPI2A	1	1
	58.82	38.23	52.98
	53	H	H2X	PNPI2A	1	1
	57.93	37.57	53.15
	54	H	H2Y	PNPI2A	1	1
	59.51	37.49	52.57
	55	C	C23	PNPI2A	1	1
	63.48	37.83	52.14
	56	H	H3R	PNPI2A	1	1
	62.72	38.64	52.08
	57	H	H3S	PNPI2A	1	1
	63.06	36.91	51.66
	58	C	C24	PNPI2A	1	1
	64.69	38.27	51.33
	59	H	H4R	PNPI2A	1	1
	65.55	37.6	51.57
	60	H	H4S	PNPI2A	1	1
	64.97	39.29	51.67
	61	C	C25	PNPI2A	1	1
	64.39	38.38	49.82
	62	H	H5R	PNPI2A	1	1
	65.22	39	49.41
	63	H	H5S	PNPI2A	1	1
	63.42	38.86	49.63
	64	C	C26	PNPI2A	1	1
	64.38	37.07	49.07
	65	H	H6R	PNPI2A	1	1
	63.57	36.33	49.17
	66	H	H6S	PNPI2A	1	1
	65.12	36.63	49.74
	67	C	C27	PNPI2A	1	1
	64.78	37.13	47.59
	68	H	H7R	PNPI2A	1	1
	64.88	36.04	47.29
	69	H	H7S	PNPI2A	1	1
	65.79	37.61	47.5
	70	C	C28	PNPI2A	1	1
	63.88	37.9	46.66
	71	H	H8R	PNPI2A	1	1
	63.74	38.89	47.13
	72	H	H8S	PNPI2A	1	1
	62.93	37.35	46.84
	73	C	C29	PNPI2A	1	1
	64.4	38.19	45.23
	74	H	H91	PNPI2A	1	1
	65.23	38.8	45.08
	75	C	C210	PNPI2A	1	1
	64.15	37.75	44.03
	76	H	H101	PNPI2A	1	1
	64.77	37.42	43.18
	77	C	C211	PNPI2A	1	1
	63.29	36.86	44.18
	78	H	H11R	PNPI2A	1	1
	63.94	35.79	44.69
	79	H	H11S	PNPI2A	1	1
	64.08	36.04	43.92
	80	C	C212	PNPI2A	1	1
	61.47	37.01	43.84
	81	H	H121	PNPI2A	1	1
	61.01	37.41	44.78
	82	C	C213	PNPI2A	1	1
	60.44	35.94	43.34
	83	H	H131	PNPI2A	1	1
	59.61	35.81	43.86
	84	C	C214	PNPI2A	1	1
	60.05	34.35	42.8
	85	H	H14R	PNPI2A	1	1
	59.12	33.75	42.94
	86	H	H14S	PNPI2A	1	1
	60.69	33.52	43.32
	87	C	C215	PNPI2A	1	1
	60.46	34.49	41.29
	88	H	H151	PNPI2A	1	1
	60.34	35.53	40.95
	89	C	C216	PNPI2A	1	1
	61.4	33.83	40.55
	90	H	H161	PNPI2A	1	1
	61.85	34.42	39.74
	91	C	C217	PNPI2A	1	1
	62.34	32.7	40.94
	92	H	H17R	PNPI2A	1	1
	62.67	32.6	42.02
	93	H	H17S	PNPI2A	1	1
	63.31	32.73	40.38
	94	C	C218	PNPI2A	1	1
	61.41	31.56	40.59
	95	H	H18R	PNPI2A	1	1
	60.93	31.68	39.59
	96	H	H18S	PNPI2A	1	1
	61.92	30.61	40.6
	97	H	H18T	PNPI2A	1	1
	60.59	31.48	41.33
	98	C	C33	PNPI2A	1	1
	58.95	39.45	51.99
	99	H	H3X	PNPI2A	1	1
	59.95	39.85	51.92
	100	H	H3Y	PNPI2A	1	1
	58.35	40.36	52.11
	101	C	C34	PNPI2A	1	1
	58.45	39.32	50.62
	102	H	H4X	PNPI2A	1	1
	57.52	38.89	50.73
	103	H	H4Y	PNPI2A	1	1
	58.73	38.46	50.03
	104	C	C35	PNPI2A	1	1
	58.13	40.73	50.11
	105	H	H5X	PNPI2A	1	1
	58.95	41.17	49.57
	106	H	H5Y	PNPI2A	1	1
	57.5	41.46	50.7
	107	C	C36	PNPI2A	1	1
	57.29	40.64	49.05
	108	H	H6X	PNPI2A	1	1
	56.83	41.66	48.93
	109	H	H6Y	PNPI2A	1	1
	56.27	40.52	49.36
	110	C	C37	PNPI2A	1	1
	57.96	39.79	47.95
	111	H	H7X	PNPI2A	1	1
	57.22	39.04	47.61
	112	H	H7Y	PNPI2A	1	1
	58.35	38.75	48.05
	113	C	C38	PNPI2A	1	1
	58.72	40.81	46.97
	114	H	H8X	PNPI2A	1	1
	59.54	41.12	47.6
	115	H	H8Y	PNPI2A	1	1
	58.25	41.8	46.79
	116	C	C39	PNPI2A	1	1
	59.2	40.5	45.52
	117	H	H9X	PNPI2A	1	1
	58.45	40.34	44.67
	118	H	H9Y	PNPI2A	1	1
	59.88	39.62	45.61
	119	C	C310	PNPI2A	1	1
	59.99	41.39	44.76
	120	H	H10X	PNPI2A	1	1
	60.88	41.4	45.41
	121	H	H10Y	PNPI2A	1	1
	59.37	42.31	44.72
	122	C	C311	PNPI2A	1	1
	60.26	40.75	43.41
	123	H	H11X	PNPI2A	1	1
	59.34	40.65	42.82
	124	H	H11Y	PNPI2A	1	1
	60.65	39.7	43.52
	125	C	C312	PNPI2A	1	1
	61.2	41.68	42.7
	126	H	H12X	PNPI2A	1	1
	61.2	42.66	43.24
	127	H	H12Y	PNPI2A	1	1
	60.84	41.89	41.67
	128	C	C313	PNPI2A	1	1
	62.58	41.08	42.69
	129	H	H13X	PNPI2A	1	1
	62.58	40.17	43.33
	130	H	H13Y	PNPI2A	1	1
	63.35	41.77	43.09
	131	C	C314	PNPI2A	1	1
	62.95	40.7	41.27
	132	H	H14X	PNPI2A	1	1
	63	41.61	40.63
	133	H	H14Y	PNPI2A	1	1
	62.13	40.04	40.9
	134	C	C315	PNPI2A	1	1
	64.25	39.93	41.23
	135	H	H15X	PNPI2A	1	1
	64.19	39.12	41.98
	136	H	H15Y	PNPI2A	1	1
	65.07	40.63	41.48
	137	C	C316	PNPI2A	1	1
	64.58	39.36	39.88
	138	H	H16X	PNPI2A	1	1
	65.58	38.86	39.91
	139	H	H16Y	PNPI2A	1	1
	63.79	38.64	39.61
	140	H	H16Z	PNPI2A	1	1
	64.59	40.22	39.17

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

_cell.entry_id	PNPI2A
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

