# --------------------------------------------------------------------------
#
# 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 POPI2B.gro
#
#---------------------------------------------------------------------------

data_POPI2B

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

_entry.id	POPI2B

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

_chemical.entry_id	POPI2B
_chemical.name_common	'POPI2B'

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

_chemical_formula.entry_id	POPI2B
_chemical_formula.structural	'C43H95O19P3'

###############
## 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	POPI2B	1	1
	27.27	28.74	62.69
	2	H	H2	POPI2B	1	1
	28.28	28.76	62.22
	3	O	O2	POPI2B	1	1
	27	27.3	62.56
	4	H	HO2	POPI2B	1	1
	27.26	26.91	61.76
	5	C	C13	POPI2B	1	1
	27.07	29.44	64.24
	6	H	H3	POPI2B	1	1
	27.98	30.05	64.23
	7	O	O3	POPI2B	1	1
	26.48	30.68	65.08
	8	P	P3	POPI2B	1	1
	24.65	31.58	65.59
	9	O	OP32	POPI2B	1	1
	25.11	32.26	66.86
	10	O	OP33	POPI2B	1	1
	23.39	30.69	65.96
	11	O	OP34	POPI2B	1	1
	23.99	32.46	64.58
	12	C	C14	POPI2B	1	1
	25.76	28.93	65.03
	13	H	H4	POPI2B	1	1
	26.38	27.51	64.44
	14	O	O4	POPI2B	1	1
	25.41	29.49	66.95
	15	H	HO4	POPI2B	1	1
	26.17	30.08	66.74
	16	C	C15	POPI2B	1	1
	24.92	29.41	63.97
	17	H	H5	POPI2B	1	1
	25.34	30.54	63.53
	18	O	O5	POPI2B	1	1
	25	28.37	65.17
	19	P	P5	POPI2B	1	1
	27.36	27.94	66.45
	20	O	OP52	POPI2B	1	1
	27.38	27.8	67.99
	21	H	HP52	POPI2B	1	1
	27.55	28.78	68.06
	22	O	OP53	POPI2B	1	1
	28.76	27.98	65.84
	23	O	OP54	POPI2B	1	1
	27.81	29.38	66.86
	24	C	C16	POPI2B	1	1
	24.87	29.16	62.58
	25	H	H6	POPI2B	1	1
	24.51	28.18	62.62
	26	O	O6	POPI2B	1	1
	23.86	30.13	62.11
	27	H	HO6	POPI2B	1	1
	23.49	30.59	62.9
	28	C	C11	POPI2B	1	1
	26.23	29.45	61.99
	29	H	H1	POPI2B	1	1
	26.64	30.51	62.16
	30	P	P	POPI2B	1	1
	26.95	30.07	59.54
	31	O	O13	POPI2B	1	1
	28.4	29.84	59.75
	32	O	O14	POPI2B	1	1
	26.44	31.44	59.6
	33	O	O12	POPI2B	1	1
	26.18	29.11	60.61
	34	O	O11	POPI2B	1	1
	26.55	29.4	58.16
	35	C	C1	POPI2B	1	1
	27.05	28.1	57.81
	36	H	HA	POPI2B	1	1
	26.29	27.32	58.06
	37	H	HB	POPI2B	1	1
	28	27.86	58.33
	38	C	C2	POPI2B	1	1
	27.43	27.97	56.31
	39	H	HS	POPI2B	1	1
	28.21	28.73	56.05
	40	O	O21	POPI2B	1	1
	26.25	28.07	55.51
	41	C	C21	POPI2B	1	1
	25.97	29.29	55.12
	42	O	O22	POPI2B	1	1
	26.68	30.28	55.25
	43	C	C22	POPI2B	1	1
	24.68	29.28	54.33
	44	H	H2R	POPI2B	1	1
	23.91	29.86	54.87
	45	H	H2S	POPI2B	1	1
	24.32	28.25	54.16
	46	C	C3	POPI2B	1	1
	28.04	26.58	56.04
	47	H	HX	POPI2B	1	1
	29.03	26.48	56.52
	48	H	HY	POPI2B	1	1
	27.34	25.85	56.5
	49	O	O31	POPI2B	1	1
	28.08	26.32	54.64
	50	C	C31	POPI2B	1	1
	28.37	25.06	54.41
	51	O	O32	POPI2B	1	1
	28.86	24.27	55.15
	52	C	C32	POPI2B	1	1
	28.34	24.74	53.12
	53	H	H2X	POPI2B	1	1
	28.08	25.8	52.55
	54	H	H2Y	POPI2B	1	1
	27.43	24.83	52.41
	55	C	C23	POPI2B	1	1
	24.92	29.98	52.98
	56	H	H3R	POPI2B	1	1
	25.45	30.96	53.12
	57	H	H3S	POPI2B	1	1
	23.92	30.2	52.56
	58	C	C24	POPI2B	1	1
	25.76	29.15	52
	59	H	H4R	POPI2B	1	1
	26.76	28.94	52.46
	60	H	H4S	POPI2B	1	1
	25.93	29.76	51.08
	61	C	C25	POPI2B	1	1
	25.12	27.85	51.51
	62	H	H5R	POPI2B	1	1
	24.15	28.11	51.04
	63	H	H5S	POPI2B	1	1
	24.87	27.19	52.38
	64	C	C26	POPI2B	1	1
	26.06	27.12	50.51
	65	H	H6R	POPI2B	1	1
	26.02	26.02	50.64
	66	H	H6S	POPI2B	1	1
	27.1	27.41	50.78
	67	C	C27	POPI2B	1	1
	25.84	27.43	49.01
	68	H	H7R	POPI2B	1	1
	26.05	28.5	48.8
	69	H	H7S	POPI2B	1	1
	24.8	27.27	48.7
	70	C	C28	POPI2B	1	1
	26.69	26.58	48.09
	71	H	H8R	POPI2B	1	1
	26.43	26.78	47.03
	72	H	H8S	POPI2B	1	1
	26.53	25.49	48.27
	73	C	C29	POPI2B	1	1
	28.06	27.04	48.35
	74	H	H91	POPI2B	1	1
	28.5	26.7	49.26
	75	C	C210	POPI2B	1	1
	28.77	27.81	47.56
	76	H	H101	POPI2B	1	1
	29.84	27.74	47.73
	77	C	C211	POPI2B	1	1
	28.41	28.4	46.2
	78	H	H11R	POPI2B	1	1
	27.51	27.98	45.77
	79	H	H11S	POPI2B	1	1
	28.97	28.11	45.28
	80	C	C212	POPI2B	1	1
	28.62	29.83	46.04
	81	H	H12R	POPI2B	1	1
	29.6	30.16	46.32
	82	H	H12S	POPI2B	1	1
	28.01	30.33	46.78
	83	C	C213	POPI2B	1	1
	28.44	30.16	44.58
	84	H	H13R	POPI2B	1	1
	28.75	29.33	43.89
	85	H	H13S	POPI2B	1	1
	29.13	31.03	44.45
	86	C	C214	POPI2B	1	1
	27.01	30.41	44.22
	87	H	H14R	POPI2B	1	1
	26.79	31.33	44.73
	88	H	H14S	POPI2B	1	1
	26.31	29.68	44.64
	89	C	C215	POPI2B	1	1
	26.75	30.54	42.76
	90	H	H15R	POPI2B	1	1
	25.74	30.95	42.51
	91	H	H15S	POPI2B	1	1
	26.84	29.52	42.34
	92	C	C216	POPI2B	1	1
	27.74	31.47	42.18
	93	H	H16R	POPI2B	1	1
	28.82	31.35	42.38
	94	H	H16S	POPI2B	1	1
	27.58	32.45	42.43
	95	C	C217	POPI2B	1	1
	27.41	31.67	40.82
	96	H	H17R	POPI2B	1	1
	28.18	32.47	40.64
	97	H	H17S	POPI2B	1	1
	26.47	32.07	40.37
	98	C	C218	POPI2B	1	1
	27.64	30.27	40.42
	99	H	H18R	POPI2B	1	1
	27.15	30.54	39.53
	100	H	H18S	POPI2B	1	1
	28.71	30.01	40.32
	101	H	H18T	POPI2B	1	1
	27.01	29.45	40.1
	102	C	C33	POPI2B	1	1
	30.09	23.57	52.54
	103	H	H3X	POPI2B	1	1
	29.77	22.86	53.25
	104	H	H3Y	POPI2B	1	1
	31.01	23.71	52.28
	105	C	C34	POPI2B	1	1
	30.24	23.33	50.11
	106	H	H4X	POPI2B	1	1
	31.12	23.48	50.5
	107	H	H4Y	POPI2B	1	1
	30.51	24.3	49.46
	108	C	C35	POPI2B	1	1
	28.81	23.68	49.25
	109	H	H5X	POPI2B	1	1
	27.95	24.4	49.66
	110	H	H5Y	POPI2B	1	1
	28.22	22.7	49.38
	111	C	C36	POPI2B	1	1
	28.89	23.07	48.2
	112	H	H6X	POPI2B	1	1
	29.85	22.55	48.1
	113	H	H6Y	POPI2B	1	1
	29.11	24.16	48.37
	114	C	C37	POPI2B	1	1
	27.53	22.88	47.57
	115	H	H7X	POPI2B	1	1
	26.83	23.46	48.22
	116	H	H7Y	POPI2B	1	1
	27.52	21.79	47.68
	117	C	C38	POPI2B	1	1
	27.35	23.4	46.18
	118	H	H8X	POPI2B	1	1
	28.04	22.86	45.59
	119	H	H8Y	POPI2B	1	1
	27.38	24.49	45.97
	120	C	C39	POPI2B	1	1
	26.22	23.26	45.38
	121	H	H9X	POPI2B	1	1
	25.59	23.94	46.01
	122	H	H9Y	POPI2B	1	1
	26.29	22.16	45.46
	123	C	C310	POPI2B	1	1
	26.5	23.76	44
	124	H	H10X	POPI2B	1	1
	26.11	22.94	43.41
	125	H	H10Y	POPI2B	1	1
	27.43	23.8	43.49
	126	C	C311	POPI2B	1	1
	26.05	25.15	43.77
	127	H	H11X	POPI2B	1	1
	26.75	25.94	44.13
	128	H	H11Y	POPI2B	1	1
	25.05	25.29	44.22
	129	C	C312	POPI2B	1	1
	26	25.29	42.29
	130	H	H12X	POPI2B	1	1
	25.45	26.23	42.26
	131	H	H12Y	POPI2B	1	1
	25.37	24.48	41.85
	132	C	C313	POPI2B	1	1
	27.43	25.33	41.69
	133	H	H13X	POPI2B	1	1
	28.12	25.67	42.47
	134	H	H13Y	POPI2B	1	1
	27.73	26.02	40.93
	135	C	C314	POPI2B	1	1
	27.77	24.11	40.88
	136	H	H14X	POPI2B	1	1
	27.07	23.71	40.14
	137	H	H14Y	POPI2B	1	1
	27.55	23.41	41.67
	138	C	C315	POPI2B	1	1
	29.11	24.19	40.12
	139	H	H15X	POPI2B	1	1
	29.93	24.65	40.74
	140	H	H15Y	POPI2B	1	1
	29.05	24.89	39.29
	141	C	C316	POPI2B	1	1
	29.5	22.85	39.46
	142	H	H16X	POPI2B	1	1
	30.34	22.37	39.98
	143	H	H16Y	POPI2B	1	1
	28.82	22	39.45
	144	H	H16Z	POPI2B	1	1
	29.9	23.03	38.48

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

_cell.entry_id	POPI2B
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

