# --------------------------------------------------------------------------
#
# 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 POPI14.gro
#
#---------------------------------------------------------------------------

data_POPI14

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

_entry.id	POPI14

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

_chemical.entry_id	POPI14
_chemical.name_common	'POPI14'

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

_chemical_formula.entry_id	POPI14
_chemical_formula.structural	'C43H84O16P2'

###############
## 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	POPI14	1	1
	24.39	25.22	62.31
	2	H	H2	POPI14	1	1
	24.08	25.89	61.46
	3	O	O2	POPI14	1	1
	25.77	25.52	62.63
	4	H	HO2	POPI14	1	1
	25.99	26.33	62.16
	5	C	C13	POPI14	1	1
	23.45	25.56	63.45
	6	H	H3	POPI14	1	1
	22.4	25.38	63.14
	7	O	O3	POPI14	1	1
	23.63	26.95	63.65
	8	H	HO3	POPI14	1	1
	24.55	27.11	63.79
	9	C	C14	POPI14	1	1
	23.72	24.65	64.69
	10	H	H4	POPI14	1	1
	24.8	24.78	64.94
	11	O	O4	POPI14	1	1
	22.86	24.97	65.8
	12	P	P4	POPI14	1	1
	23.55	25.23	67.28
	13	O	OP42	POPI14	1	1
	24.74	26.2	67.13
	14	O	OP43	POPI14	1	1
	23.86	23.79	67.75
	15	O	OP44	POPI14	1	1
	22.5	25.77	68.24
	16	C	C15	POPI14	1	1
	23.43	23.21	64.24
	17	H	H5	POPI14	1	1
	22.36	23.12	63.95
	18	O	O5	POPI14	1	1
	23.69	22.22	65.25
	19	H	HO5	POPI14	1	1
	23.13	22.47	65.96
	20	C	C16	POPI14	1	1
	24.27	22.86	63.04
	21	H	H6	POPI14	1	1
	25.29	22.87	63.38
	22	O	O6	POPI14	1	1
	23.91	21.55	62.61
	23	H	HO6	POPI14	1	1
	24.22	20.88	63.24
	24	C	C11	POPI14	1	1
	24.11	23.81	61.88
	25	H	H1	POPI14	1	1
	23.05	23.78	61.58
	26	P	P	POPI14	1	1
	24.43	23.75	59.25
	27	O	O13	POPI14	1	1
	24.32	25.22	59.1
	28	O	O14	POPI14	1	1
	23.16	22.98	59.19
	29	O	O12	POPI14	1	1
	24.99	23.46	60.78
	30	O	O11	POPI14	1	1
	25.52	23.16	58.26
	31	C	C1	POPI14	1	1
	26.88	23.58	58.27
	32	H	HA	POPI14	1	1
	27.45	22.84	58.88
	33	H	HB	POPI14	1	1
	27.01	24.58	58.75
	34	C	C2	POPI14	1	1
	27.48	23.55	56.83
	35	H	HS	POPI14	1	1
	28.53	23.94	56.85
	36	O	O21	POPI14	1	1
	26.7	24.3	55.89
	37	C	C21	POPI14	1	1
	26.8	25.59	56.1
	38	O	O22	POPI14	1	1
	27.51	26.15	56.92
	39	C	C22	POPI14	1	1
	25.96	26.26	55.01
	40	H	H2R	POPI14	1	1
	25.07	25.65	54.79
	41	H	H2S	POPI14	1	1
	26.52	26.33	54.06
	42	C	C3	POPI14	1	1
	27.58	22.06	56.39
	43	H	HX	POPI14	1	1
	28.55	21.74	56.83
	44	H	HY	POPI14	1	1
	26.77	21.49	56.9
	45	O	O31	POPI14	1	1
	27.6	21.82	54.96
	46	C	C31	POPI14	1	1
	26.41	21.62	54.37
	47	O	O32	POPI14	1	1
	25.34	21.56	54.93
	48	C	C32	POPI14	1	1
	26.58	21.43	52.87
	49	H	H2X	POPI14	1	1
	26.73	20.35	52.66
	50	H	H2Y	POPI14	1	1
	27.48	21.98	52.51
	51	C	C23	POPI14	1	1
	25.49	27.63	55.52
	52	H	H3R	POPI14	1	1
	26.32	28.26	55.88
	53	H	H3S	POPI14	1	1
	24.76	27.45	56.35
	54	C	C24	POPI14	1	1
	24.88	28.39	54.4
	55	H	H4R	POPI14	1	1
	25.41	28.21	53.44
	56	H	H4S	POPI14	1	1
	24.8	29.48	54.61
	57	C	C25	POPI14	1	1
	23.53	27.91	54.18
	58	H	H5R	POPI14	1	1
	22.84	28.42	54.91
	59	H	H5S	POPI14	1	1
	23.3	26.84	54.34
	60	C	C26	POPI14	1	1
	23.37	28.28	52.77
	61	H	H6R	POPI14	1	1
	23.61	27.67	51.88
	62	H	H6S	POPI14	1	1
	23.67	29.34	52.49
	63	C	C27	POPI14	1	1
	22.02	28.12	53.02
	64	H	H7R	POPI14	1	1
	22.03	28.7	52.02
	65	H	H7S	POPI14	1	1
	21.48	29.09	52.73
	66	C	C28	POPI14	1	1
	21.17	26.46	53.37
	67	H	H8R	POPI14	1	1
	20.02	26.28	53.31
	68	H	H8S	POPI14	1	1
	21.1	26.48	54.46
	69	C	C29	POPI14	1	1
	21.44	25.14	52.46
	70	H	H91	POPI14	1	1
	22.45	24.91	52.62
	71	C	C210	POPI14	1	1
	21.26	24.64	51.15
	72	H	H101	POPI14	1	1
	22.02	24.02	50.71
	73	C	C211	POPI14	1	1
	20.72	24.9	49.76
	74	H	H11R	POPI14	1	1
	21.07	25.75	49.09
	75	H	H11S	POPI14	1	1
	19.72	25.05	50.06
	76	C	C212	POPI14	1	1
	20.17	23.84	48.96
	77	H	H12R	POPI14	1	1
	19.16	23.66	48.6
	78	H	H12S	POPI14	1	1
	19.99	23.2	49.81
	79	C	C213	POPI14	1	1
	20.72	23.65	47.61
	80	H	H13R	POPI14	1	1
	20.08	22.86	47.13
	81	H	H13S	POPI14	1	1
	21.68	23.35	48.08
	82	C	C214	POPI14	1	1
	20.95	24.75	46.59
	83	H	H14R	POPI14	1	1
	21.61	24.15	45.92
	84	H	H14S	POPI14	1	1
	21.46	25.6	47.08
	85	C	C215	POPI14	1	1
	19.83	25.32	45.73
	86	H	H15R	POPI14	1	1
	19.34	26.1	46.33
	87	H	H15S	POPI14	1	1
	19.13	24.61	45.23
	88	C	C216	POPI14	1	1
	20.11	26.37	44.78
	89	H	H16R	POPI14	1	1
	20.71	27.11	45.38
	90	H	H16S	POPI14	1	1
	19.14	26.83	44.52
	91	C	C217	POPI14	1	1
	20.69	25.58	43.67
	92	H	H17R	POPI14	1	1
	20.23	24.62	43.39
	93	H	H17S	POPI14	1	1
	21.68	25.26	44.07
	94	C	C218	POPI14	1	1
	20.7	26.46	42.47
	95	H	H18R	POPI14	1	1
	21.26	27.28	42.96
	96	H	H18S	POPI14	1	1
	21.32	25.99	41.67
	97	H	H18T	POPI14	1	1
	19.79	26.92	42.11
	98	C	C33	POPI14	1	1
	25.33	21.91	52.12
	99	H	H3X	POPI14	1	1
	24.36	21.5	52.49
	100	H	H3Y	POPI14	1	1
	25.43	21.52	51.08
	101	C	C34	POPI14	1	1
	25.28	23.43	52.02
	102	H	H4X	POPI14	1	1
	26.33	23.82	52.04
	103	H	H4Y	POPI14	1	1
	24.74	23.91	52.86
	104	C	C35	POPI14	1	1
	24.72	23.81	50.66
	105	H	H5X	POPI14	1	1
	23.68	23.49	50.56
	106	H	H5Y	POPI14	1	1
	25.25	23.2	49.9
	107	C	C36	POPI14	1	1
	24.91	25.27	50.36
	108	H	H6X	POPI14	1	1
	25.97	25.56	50.58
	109	H	H6Y	POPI14	1	1
	24.27	25.93	51
	110	C	C37	POPI14	1	1
	24.61	25.57	48.9
	111	H	H7X	POPI14	1	1
	24.78	26.65	49.04
	112	H	H7Y	POPI14	1	1
	23.55	25.46	48.61
	113	C	C38	POPI14	1	1
	25.54	24.73	47.95
	114	H	H8X	POPI14	1	1
	25.09	23.7	47.98
	115	H	H8Y	POPI14	1	1
	26.57	24.74	48.35
	116	C	C39	POPI14	1	1
	25.69	24.95	46.41
	117	H	H9X	POPI14	1	1
	24.62	25.14	46.15
	118	H	H9Y	POPI14	1	1
	25.88	24.03	45.84
	119	C	C310	POPI14	1	1
	26.88	25.88	45.89
	120	H	H10X	POPI14	1	1
	27.79	25.89	46.5
	121	H	H10Y	POPI14	1	1
	26.68	26.79	46.37
	122	C	C311	POPI14	1	1
	26.86	26.48	44.41
	123	H	H11X	POPI14	1	1
	25.87	26.5	43.99
	124	H	H11Y	POPI14	1	1
	27.05	25.74	43.65
	125	C	C312	POPI14	1	1
	27.31	27.97	44.15
	126	H	H12X	POPI14	1	1
	28.28	27.99	44.64
	127	H	H12Y	POPI14	1	1
	26.81	28.86	44.62
	128	C	C313	POPI14	1	1
	27.48	28.28	42.64
	129	H	H13X	POPI14	1	1
	27.88	27.35	42.2
	130	H	H13Y	POPI14	1	1
	27.99	29.25	42.49
	131	C	C314	POPI14	1	1
	26.22	28.55	41.91
	132	H	H14X	POPI14	1	1
	25.72	29.31	42.56
	133	H	H14Y	POPI14	1	1
	25.95	27.47	41.93
	134	C	C315	POPI14	1	1
	25.74	28.51	40.49
	135	H	H15X	POPI14	1	1
	25.96	29.56	40.42
	136	H	H15Y	POPI14	1	1
	24.63	28.37	40.28
	137	C	C316	POPI14	1	1
	26.42	27.45	39.74
	138	H	H16X	POPI14	1	1
	27.5	27.65	39.9
	139	H	H16Y	POPI14	1	1
	26.13	26.42	40.02
	140	H	H16Z	POPI14	1	1
	26.09	27.47	38.69

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

_cell.entry_id	POPI14
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

