# --------------------------------------------------------------------------
#
# 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 PNPI2C.gro
#
#---------------------------------------------------------------------------

data_PNPI2C

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

_entry.id	PNPI2C

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

_chemical.entry_id	PNPI2C
_chemical.name_common	'PNPI2C'

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

_chemical_formula.entry_id	PNPI2C
_chemical_formula.structural	'C43H81O19P3'

###############
## 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	PNPI2C	1	1
	47.19	46.77	62.44
	2	H	H2	PNPI2C	1	1
	47.28	45.92	61.73
	3	O	O2	PNPI2C	1	1
	45.82	47.18	62.5
	4	H	HO2	PNPI2C	1	1
	45.67	47.33	63.45
	5	C	C13	PNPI2C	1	1
	47.65	46.31	63.8
	6	H	H3	PNPI2C	1	1
	48.75	46.13	63.72
	7	O	O3	PNPI2C	1	1
	47.08	45.03	64.08
	8	P	P3	PNPI2C	1	1
	45.57	44.76	64.67
	9	O	OP32	PNPI2C	1	1
	46.03	44.01	65.99
	10	H	HP32	PNPI2C	1	1
	46.38	44.73	66.54
	11	O	OP33	PNPI2C	1	1
	44.8	45.97	65.2
	12	O	OP34	PNPI2C	1	1
	44.81	43.8	63.79
	13	C	C14	PNPI2C	1	1
	47.53	47.48	64.79
	14	H	H4	PNPI2C	1	1
	46.48	47.83	64.85
	15	O	O4	PNPI2C	1	1
	47.87	46.86	66.01
	16	P	P4	PNPI2C	1	1
	48.31	47.56	67.4
	17	O	OP42	PNPI2C	1	1
	47.36	48.73	67.67
	18	O	OP43	PNPI2C	1	1
	49.77	47.97	67.23
	19	O	OP44	PNPI2C	1	1
	48.09	46.51	68.47
	20	C	C15	PNPI2C	1	1
	48.44	48.64	64.32
	21	H	H5	PNPI2C	1	1
	49.5	48.28	64.33
	22	O	O5	PNPI2C	1	1
	48.35	49.81	65.14
	23	H	HO5	PNPI2C	1	1
	47.64	49.66	65.77
	24	C	C16	PNPI2C	1	1
	48.05	49.07	62.91
	25	H	H6	PNPI2C	1	1
	47	49.45	62.97
	26	O	O6	PNPI2C	1	1
	48.92	50.1	62.41
	27	H	HO6	PNPI2C	1	1
	48.37	50.83	62.08
	28	C	C11	PNPI2C	1	1
	48.1	47.89	61.96
	29	H	H1	PNPI2C	1	1
	49.16	47.52	62.04
	30	P	P	PNPI2C	1	1
	48.6	47.61	59.4
	31	O	O13	PNPI2C	1	1
	48.15	46.21	59.28
	32	O	O14	PNPI2C	1	1
	50.06	47.84	59.66
	33	O	O12	PNPI2C	1	1
	47.76	48.31	60.63
	34	O	O11	PNPI2C	1	1
	48.13	48.38	58.13
	35	C	C1	PNPI2C	1	1
	46.85	49	58.09
	36	H	HA	PNPI2C	1	1
	46.88	49.94	58.7
	37	H	HB	PNPI2C	1	1
	46.05	48.34	58.5
	38	C	C2	PNPI2C	1	1
	46.48	49.33	56.63
	39	H	HS	PNPI2C	1	1
	45.41	49.67	56.6
	40	O	O21	PNPI2C	1	1
	46.72	48.22	55.74
	41	C	C21	PNPI2C	1	1
	45.71	47.43	55.43
	42	O	O22	PNPI2C	1	1
	44.62	47.42	55.99
	43	C	C22	PNPI2C	1	1
	46.1	46.57	54.21
	44	H	H2R	PNPI2C	1	1
	45.37	45.74	54.16
	45	H	H2S	PNPI2C	1	1
	47.12	46.15	54.36
	46	C	C3	PNPI2C	1	1
	47.33	50.52	56.13
	47	H	HX	PNPI2C	1	1
	47.09	51.41	56.76
	48	H	HY	PNPI2C	1	1
	48.41	50.28	56.29
	49	O	O31	PNPI2C	1	1
	47.01	50.85	54.77
	50	C	C31	PNPI2C	1	1
	47.82	50.32	53.87
	51	O	O32	PNPI2C	1	1
	48.77	49.59	54.08
	52	C	C32	PNPI2C	1	1
	47.45	50.85	52.5
	53	H	H2X	PNPI2C	1	1
	47.6	51.94	52.56
	54	H	H2Y	PNPI2C	1	1
	46.38	50.67	52.26
	55	C	C23	PNPI2C	1	1
	46.06	47.41	52.9
	56	H	H3R	PNPI2C	1	1
	46.98	48.03	52.89
	57	H	H3S	PNPI2C	1	1
	45.18	48.09	52.94
	58	C	C24	PNPI2C	1	1
	46.03	46.65	51.56
	59	H	H4R	PNPI2C	1	1
	46.28	47.39	50.76
	60	H	H4S	PNPI2C	1	1
	44.99	46.3	51.35
	61	C	C25	PNPI2C	1	1
	47.07	45.52	51.48
	62	H	H5R	PNPI2C	1	1
	46.92	44.83	52.34
	63	H	H5S	PNPI2C	1	1
	48.07	46.01	51.62
	64	C	C26	PNPI2C	1	1
	47.11	44.67	50.2
	65	H	H6R	PNPI2C	1	1
	46.09	44.54	49.77
	66	H	H6S	PNPI2C	1	1
	47.48	43.66	50.49
	67	C	C27	PNPI2C	1	1
	48.06	45.22	49.13
	68	H	H7R	PNPI2C	1	1
	49.01	45.5	49.64
	69	H	H7S	PNPI2C	1	1
	47.61	46.13	48.68
	70	C	C28	PNPI2C	1	1
	48.35	44.23	47.98
	71	H	H8R	PNPI2C	1	1
	47.46	43.9	47.44
	72	H	H8S	PNPI2C	1	1
	48.62	43.26	48.44
	73	C	C29	PNPI2C	1	1
	49.41	44.86	47.07
	74	H	H91	PNPI2C	1	1
	50.35	45.16	47.59
	75	C	C210	PNPI2C	1	1
	49.37	45.07	45.74
	76	H	H101	PNPI2C	1	1
	50.25	45.54	45.29
	77	C	C211	PNPI2C	1	1
	48.25	44.73	44.79
	78	H	H11R	PNPI2C	1	1
	48.05	43.64	44.87
	79	H	H11S	PNPI2C	1	1
	48.61	44.89	43.75
	80	C	C212	PNPI2C	1	1
	46.95	45.46	45
	81	H	H121	PNPI2C	1	1
	46.53	45.35	46.01
	82	C	C213	PNPI2C	1	1
	46.19	46.09	44.08
	83	H	H131	PNPI2C	1	1
	45.3	46.64	44.44
	84	C	C214	PNPI2C	1	1
	46.48	46.21	42.6
	85	H	H14R	PNPI2C	1	1
	45.75	45.6	42.02
	86	H	H14S	PNPI2C	1	1
	47.5	45.93	42.29
	87	C	C215	PNPI2C	1	1
	46.36	47.61	42.23
	88	H	H151	PNPI2C	1	1
	47.27	48.17	41.92
	89	C	C216	PNPI2C	1	1
	45.23	48.2	41.94
	90	H	H161	PNPI2C	1	1
	45.57	49.2	41.68
	91	C	C217	PNPI2C	1	1
	43.74	47.79	41.85
	92	H	H17R	PNPI2C	1	1
	43.24	48.36	42.65
	93	H	H17S	PNPI2C	1	1
	43.71	46.71	42.02
	94	C	C218	PNPI2C	1	1
	42.76	47.97	40.61
	95	H	H18R	PNPI2C	1	1
	43.16	47.58	39.65
	96	H	H18S	PNPI2C	1	1
	41.7	47.77	40.74
	97	H	H18T	PNPI2C	1	1
	42.5	49.03	40.51
	98	C	C33	PNPI2C	1	1
	48.39	50.22	51.46
	99	H	H3X	PNPI2C	1	1
	48.21	49.12	51.45
	100	H	H3Y	PNPI2C	1	1
	49.45	50.38	51.75
	101	C	C34	PNPI2C	1	1
	48.18	50.71	50.04
	102	H	H4X	PNPI2C	1	1
	49.14	51.1	49.63
	103	H	H4Y	PNPI2C	1	1
	47.4	51.51	50.01
	104	C	C35	PNPI2C	1	1
	47.76	49.54	49.16
	105	H	H5X	PNPI2C	1	1
	46.88	49.07	49.61
	106	H	H5Y	PNPI2C	1	1
	48.6	48.81	49.1
	107	C	C36	PNPI2C	1	1
	47.36	49.97	47.81
	108	H	H6X	PNPI2C	1	1
	46.97	51.02	47.76
	109	H	H6Y	PNPI2C	1	1
	46.66	49.28	47.3
	110	C	C37	PNPI2C	1	1
	48.58	49.91	47.05
	111	H	H7X	PNPI2C	1	1
	49.04	48.91	46.82
	112	H	H7Y	PNPI2C	1	1
	49.37	50.56	47.55
	113	C	C38	PNPI2C	1	1
	48.15	50.5	45.81
	114	H	H8X	PNPI2C	1	1
	47.75	51.53	45.75
	115	H	H8Y	PNPI2C	1	1
	47.76	49.87	44.95
	116	C	C39	PNPI2C	1	1
	49.47	50.95	45.45
	117	H	H9X	PNPI2C	1	1
	50.11	49.82	45.55
	118	H	H9Y	PNPI2C	1	1
	50.03	51.52	45.91
	119	C	C310	PNPI2C	1	1
	49.17	51.96	43.12
	120	H	H10X	PNPI2C	1	1
	50.11	51.88	42.54
	121	H	H10Y	PNPI2C	1	1
	48.92	52.78	43.35
	122	C	C311	PNPI2C	1	1
	48.39	50.95	42.08
	123	H	H11X	PNPI2C	1	1
	47.45	50.96	42.62
	124	H	H11Y	PNPI2C	1	1
	48.63	49.83	42.26
	125	C	C312	PNPI2C	1	1
	48.8	51.42	40.75
	126	H	H12X	PNPI2C	1	1
	49.85	51.4	40.37
	127	H	H12Y	PNPI2C	1	1
	48.52	52.48	40.78
	128	C	C313	PNPI2C	1	1
	48.09	50.62	39.86
	129	H	H13X	PNPI2C	1	1
	47.27	50.33	40.54
	130	H	H13Y	PNPI2C	1	1
	48.66	49.7	39.57
	131	C	C314	PNPI2C	1	1
	47.67	51.68	38.89
	132	H	H14X	PNPI2C	1	1
	48.48	52.19	38.36
	133	H	H14Y	PNPI2C	1	1
	47.01	52.33	39.5
	134	C	C315	PNPI2C	1	1
	46.94	51.15	37.81
	135	H	H15X	PNPI2C	1	1
	46.25	51.4	37.03
	136	H	H15Y	PNPI2C	1	1
	46.19	50.87	38.52
	137	C	C316	PNPI2C	1	1
	47.77	50.33	37.18
	138	H	H16X	PNPI2C	1	1
	47.05	49.87	36.64
	139	H	H16Y	PNPI2C	1	1
	48.23	50.4	36.21
	140	H	H16Z	PNPI2C	1	1
	47.97	49.55	37.89

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

_cell.entry_id	PNPI2C
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

