# --------------------------------------------------------------------------
#
# 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 POPI2A.gro
#
#---------------------------------------------------------------------------

data_POPI2A

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

_entry.id	POPI2A

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

_chemical.entry_id	POPI2A
_chemical.name_common	'POPI2A'

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

_chemical_formula.entry_id	POPI2A
_chemical_formula.structural	'C43H93O19P3'

###############
## 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	POPI2A	1	1
	71.81	40.41	61.87
	2	H	H2	POPI2A	1	1
	71.15	41.24	61.48
	3	O	O2	POPI2A	1	1
	73.11	40.67	61.38
	4	H	HO2	POPI2A	1	1
	73.12	41.56	61.02
	5	C	C13	POPI2A	1	1
	71.79	40.33	63.36
	6	H	H3	POPI2A	1	1
	71.29	41.07	63.79
	7	O	O3	POPI2A	1	1
	70.31	40.43	63.56
	8	P	P3	POPI2A	1	1
	69.06	39.3	64.06
	9	O	OP32	POPI2A	1	1
	68.66	38.62	65.48
	10	H	HP32	POPI2A	1	1
	68.7	37.66	65.2
	11	O	OP33	POPI2A	1	1
	68.04	39.55	63.01
	12	O	OP34	POPI2A	1	1
	69.35	37.84	63.88
	13	C	C14	POPI2A	1	1
	72.93	39.17	64.25
	14	H	H4	POPI2A	1	1
	73.79	39.63	63.8
	15	O	O4	POPI2A	1	1
	73.77	38.67	65.57
	16	H	HO4	POPI2A	1	1
	73.2	39.16	66.27
	17	C	C15	POPI2A	1	1
	72.29	38.15	63.81
	18	H	H5	POPI2A	1	1
	71.34	37.76	63.78
	19	O	O5	POPI2A	1	1
	71.55	38.83	65.09
	20	P	P5	POPI2A	1	1
	71.78	40.6	66.14
	21	O	OP52	POPI2A	1	1
	70.66	40.81	67.1
	22	O	OP53	POPI2A	1	1
	71.76	42.01	65.46
	23	O	OP54	POPI2A	1	1
	73.2	40.75	66.69
	24	C	C16	POPI2A	1	1
	72.15	38.03	62.14
	25	H	H6	POPI2A	1	1
	73.16	38.15	61.76
	26	O	O6	POPI2A	1	1
	71.7	36.72	61.77
	27	H	HO6	POPI2A	1	1
	72.07	36.14	62.42
	28	C	C11	POPI2A	1	1
	71.3	39.11	61.51
	29	H	H1	POPI2A	1	1
	70.35	38.95	61.97
	30	P	P	POPI2A	1	1
	69.41	39.51	59.7
	31	O	O13	POPI2A	1	1
	69.1	40.94	60.01
	32	O	O14	POPI2A	1	1
	68.47	38.47	60.14
	33	O	O12	POPI2A	1	1
	71	39.12	60.11
	34	O	O11	POPI2A	1	1
	69.57	39.41	58.16
	35	C	C1	POPI2A	1	1
	70.68	40.02	57.5
	36	H	HA	POPI2A	1	1
	71.34	39.23	57.08
	37	H	HB	POPI2A	1	1
	71.29	40.66	58.18
	38	C	C2	POPI2A	1	1
	70.11	40.95	56.41
	39	H	HS	POPI2A	1	1
	69.47	41.69	56.96
	40	O	O21	POPI2A	1	1
	69.37	40.16	55.46
	41	C	C21	POPI2A	1	1
	68.09	40.46	55.33
	42	O	O22	POPI2A	1	1
	67.49	41.31	55.96
	43	C	C22	POPI2A	1	1
	67.48	39.71	54.13
	44	H	H2R	POPI2A	1	1
	66.38	39.83	54.2
	45	H	H2S	POPI2A	1	1
	67.69	38.63	54.15
	46	C	C3	POPI2A	1	1
	71.2	41.77	55.67
	47	H	HX	POPI2A	1	1
	71.6	42.5	56.41
	48	H	HY	POPI2A	1	1
	71.99	41.07	55.33
	49	O	O31	POPI2A	1	1
	70.66	42.48	54.55
	50	C	C31	POPI2A	1	1
	71.54	43.16	53.84
	51	O	O32	POPI2A	1	1
	72.71	43.31	54.11
	52	C	C32	POPI2A	1	1
	70.78	43.66	52.64
	53	H	H2X	POPI2A	1	1
	70.04	44.4	53.03
	54	H	H2Y	POPI2A	1	1
	70.24	42.79	52.21
	55	C	C23	POPI2A	1	1
	68.02	40.28	52.81
	56	H	H3R	POPI2A	1	1
	67.98	41.4	52.81
	57	H	H3S	POPI2A	1	1
	67.38	39.91	51.98
	58	C	C24	POPI2A	1	1
	69.46	39.83	52.6
	59	H	H4R	POPI2A	1	1
	69.58	38.74	52.81
	60	H	H4S	POPI2A	1	1
	70.11	40.36	53.33
	61	C	C25	POPI2A	1	1
	69.99	40.14	51.21
	62	H	H5R	POPI2A	1	1
	69.81	41.21	50.95
	63	H	H5S	POPI2A	1	1
	69.45	39.53	50.46
	64	C	C26	POPI2A	1	1
	71.49	39.88	51.15
	65	H	H6R	POPI2A	1	1
	71.74	38.82	51.35
	66	H	H6S	POPI2A	1	1
	71.93	40.51	51.96
	67	C	C27	POPI2A	1	1
	72.12	40.32	49.83
	68	H	H7R	POPI2A	1	1
	73.21	40.4	50.06
	69	H	H7S	POPI2A	1	1
	71.75	41.34	49.59
	70	C	C28	POPI2A	1	1
	72	39.34	48.64
	71	H	H8R	POPI2A	1	1
	72.45	38.36	48.9
	72	H	H8S	POPI2A	1	1
	72.64	39.77	47.83
	73	C	C29	POPI2A	1	1
	70.6	39.09	48.14
	74	H	H91	POPI2A	1	1
	70.04	38.33	48.7
	75	C	C210	POPI2A	1	1
	70.04	39.61	47.05
	76	H	H101	POPI2A	1	1
	68.97	39.39	46.85
	77	C	C211	POPI2A	1	1
	70.7	40.57	46.12
	78	H	H11R	POPI2A	1	1
	71.7	40.97	46.37
	79	H	H11S	POPI2A	1	1
	70.07	41.37	46.45
	80	C	C212	POPI2A	1	1
	70.7	40.35	44.59
	81	H	H12R	POPI2A	1	1
	70.88	41.3	44.03
	82	H	H12S	POPI2A	1	1
	69.74	39.95	44.2
	83	C	C213	POPI2A	1	1
	71.5	39.18	44.14
	84	H	H13R	POPI2A	1	1
	71.21	38.34	44.81
	85	H	H13S	POPI2A	1	1
	72.57	39.41	44.25
	86	C	C214	POPI2A	1	1
	71.12	38.83	42.69
	87	H	H14R	POPI2A	1	1
	70.01	38.9	42.58
	88	H	H14S	POPI2A	1	1
	71.36	37.77	42.5
	89	C	C215	POPI2A	1	1
	71.93	39.66	41.68
	90	H	H15R	POPI2A	1	1
	72.7	38.99	41.25
	91	H	H15S	POPI2A	1	1
	72.52	40.42	42.24
	92	C	C216	POPI2A	1	1
	71.16	40.27	40.5
	93	H	H16R	POPI2A	1	1
	70.69	41.25	40.72
	94	H	H16S	POPI2A	1	1
	70.31	39.58	40.28
	95	C	C217	POPI2A	1	1
	72.07	40.42	39.26
	96	H	H17R	POPI2A	1	1
	71.45	40.69	38.39
	97	H	H17S	POPI2A	1	1
	72.52	39.43	39
	98	C	C218	POPI2A	1	1
	73.22	41.43	39.42
	99	H	H18R	POPI2A	1	1
	73.85	41.47	38.52
	100	H	H18S	POPI2A	1	1
	72.84	42.43	39.61
	101	H	H18T	POPI2A	1	1
	73.83	41.26	40.33
	102	C	C33	POPI2A	1	1
	71.65	44.25	51.56
	103	H	H3X	POPI2A	1	1
	72.45	43.56	51.21
	104	H	H3Y	POPI2A	1	1
	72.16	45.17	51.89
	105	C	C34	POPI2A	1	1
	70.78	44.59	50.41
	106	H	H4X	POPI2A	1	1
	70.11	45.48	50.64
	107	H	H4Y	POPI2A	1	1
	70.12	43.79	50.01
	108	C	C35	POPI2A	1	1
	71.68	44.95	49.35
	109	H	H5X	POPI2A	1	1
	72.16	44.17	48.67
	110	H	H5Y	POPI2A	1	1
	72.51	45.63	49.7
	111	C	C36	POPI2A	1	1
	70.54	45.56	48.62
	112	H	H6X	POPI2A	1	1
	71.44	45.9	48.26
	113	H	H6Y	POPI2A	1	1
	69.99	46.51	48.81
	114	C	C37	POPI2A	1	1
	69.76	44.61	47.79
	115	H	H7X	POPI2A	1	1
	68.81	44.42	48.25
	116	H	H7Y	POPI2A	1	1
	70.22	43.71	47.35
	117	C	C38	POPI2A	1	1
	69.34	45.18	46.58
	118	H	H8X	POPI2A	1	1
	70.23	44.65	45.88
	119	H	H8Y	POPI2A	1	1
	69.38	46.34	46.72
	120	C	C39	POPI2A	1	1
	67.87	45.13	45.7
	121	H	H9X	POPI2A	1	1
	67.1	44.5	45.96
	122	H	H9Y	POPI2A	1	1
	68.45	44.34	46.25
	123	C	C310	POPI2A	1	1
	67.68	45.33	43.53
	124	H	H10X	POPI2A	1	1
	68.67	45.12	42.74
	125	H	H10Y	POPI2A	1	1
	67.52	46.26	43.17
	126	C	C311	POPI2A	1	1
	67.15	44.1	42.73
	127	H	H11X	POPI2A	1	1
	66.15	44.4	42.64
	128	H	H11Y	POPI2A	1	1
	67.12	43.66	43.64
	129	C	C312	POPI2A	1	1
	67.83	43.21	41.65
	130	H	H12X	POPI2A	1	1
	67.24	42.26	41.49
	131	H	H12Y	POPI2A	1	1
	68.9	42.87	41.76
	132	C	C313	POPI2A	1	1
	67.66	44.23	40.6
	133	H	H13X	POPI2A	1	1
	68.2	45.18	40.76
	134	H	H13Y	POPI2A	1	1
	66.6	44.51	40.64
	135	C	C314	POPI2A	1	1
	67.96	43.71	39.31
	136	H	H14X	POPI2A	1	1
	67.81	44.54	38.6
	137	H	H14Y	POPI2A	1	1
	67.5	42.76	39.03
	138	C	C315	POPI2A	1	1
	69.39	43.43	39.14
	139	H	H15X	POPI2A	1	1
	70.01	43.08	39.96
	140	H	H15Y	POPI2A	1	1
	69.64	44.45	38.79
	141	C	C316	POPI2A	1	1
	69.84	42.45	38.23
	142	H	H16X	POPI2A	1	1
	69.68	42.17	37.27
	143	H	H16Y	POPI2A	1	1
	69.08	43.11	37.83
	144	H	H16Z	POPI2A	1	1
	70.73	42.47	37.54

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

_cell.entry_id	POPI2A
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

