# --------------------------------------------------------------------------
#
# 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 POPI.gro
#
#---------------------------------------------------------------------------

data_POPI

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

_entry.id	POPI

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

_chemical.entry_id	POPI
_chemical.name_common	'POPI'

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

_chemical_formula.entry_id	POPI
_chemical_formula.structural	'C43H83O13P'

###############
## 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	POPI	1	1
	49.04	5.91	61.59
	2	H	H2	POPI	1	1
	48.66	4.94	61.19
	3	O	O2	POPI	1	1
	48.55	6.93	60.72
	4	H	HO2	POPI	1	1
	47.68	6.72	60.38
	5	C	C13	POPI	1	1
	48.53	6.14	62.99
	6	H	H3	POPI	1	1
	48.96	5.36	63.66
	7	O	O3	POPI	1	1
	47.12	5.87	63.02
	8	H	HO3	POPI	1	1
	47.02	5.04	63.45
	9	C	C14	POPI	1	1
	49.03	7.51	63.54
	10	H	H4	POPI	1	1
	48.72	8.33	62.84
	11	O	O4	POPI	1	1
	48.52	7.87	64.83
	12	H	HO4	POPI	1	1
	48.42	8.87	64.77
	13	C	C15	POPI	1	1
	50.56	7.49	63.52
	14	H	H5	POPI	1	1
	50.9	6.67	64.21
	15	O	O5	POPI	1	1
	51.13	8.7	64.03
	16	H	HO5	POPI	1	1
	50.73	9.46	63.59
	17	C	C16	POPI	1	1
	51.08	7.2	62.11
	18	H	H6	POPI	1	1
	50.68	7.99	61.43
	19	O	O6	POPI	1	1
	52.5	7.27	62.04
	20	H	HO6	POPI	1	1
	52.73	8.16	61.76
	21	C	C11	POPI	1	1
	50.56	5.87	61.62
	22	H	H1	POPI	1	1
	50.86	5.06	62.33
	23	P	P	POPI	1	1
	52.21	4.5	59.98
	24	O	O13	POPI	1	1
	51.65	3.15	60.2
	25	O	O14	POPI	1	1
	53.52	4.8	60.6
	26	O	O12	POPI	1	1
	51.02	5.59	60.29
	27	O	O11	POPI	1	1
	52.38	4.7	58.42
	28	C	C1	POPI	1	1
	51.75	3.87	57.46
	29	H	HA	POPI	1	1
	50.67	3.7	57.71
	30	H	HB	POPI	1	1
	52.26	2.89	57.42
	31	C	C2	POPI	1	1
	51.9	4.46	56.02
	32	H	HS	POPI	1	1
	52.95	4.72	55.81
	33	O	O21	POPI	1	1
	50.99	5.55	55.84
	34	C	C21	POPI	1	1
	51.41	6.67	56.43
	35	O	O22	POPI	1	1
	52.57	6.9	56.75
	36	C	C22	POPI	1	1
	50.33	7.72	56.26
	37	H	H2R	POPI	1	1
	49.89	8.1	57.19
	38	H	H2S	POPI	1	1
	49.58	7.29	55.59
	39	C	C3	POPI	1	1
	51.56	3.37	55.01
	40	H	HX	POPI	1	1
	52.14	2.44	55.18
	41	H	HY	POPI	1	1
	50.6	3.18	55.49
	42	O	O31	POPI	1	1
	51.43	3.83	53.62
	43	C	C31	POPI	1	1
	51.6	2.83	52.76
	44	O	O32	POPI	1	1
	51.87	1.69	53.11
	45	C	C32	POPI	1	1
	51.27	3.19	51.32
	46	H	H2X	POPI	1	1
	51.62	4.22	51.17
	47	H	H2Y	POPI	1	1
	50.19	3.17	51.07
	48	C	C23	POPI	1	1
	50.96	8.81	55.47
	49	H	H3R	POPI	1	1
	51.93	9.12	55.93
	50	H	H3S	POPI	1	1
	50.37	9.76	55.41
	51	C	C24	POPI	1	1
	51.07	8.04	54.16
	52	H	H4R	POPI	1	1
	51.76	7.19	54.12
	53	H	H4S	POPI	1	1
	51.7	8.39	53.44
	54	C	C25	POPI	1	1
	50.35	8.52	52.97
	55	H	H5R	POPI	1	1
	50.17	9.61	52.8
	56	H	H5S	POPI	1	1
	49.48	8.37	53.59
	57	C	C26	POPI	1	1
	51.04	7.59	51.78
	58	H	H6R	POPI	1	1
	51.09	6.56	52.2
	59	H	H6S	POPI	1	1
	51.98	7.96	51.36
	60	C	C27	POPI	1	1
	50.53	7.33	50.42
	61	H	H7R	POPI	1	1
	50.23	8.33	49.98
	62	H	H7S	POPI	1	1
	49.82	6.51	50.65
	63	C	C28	POPI	1	1
	51.08	7.1	49.09
	64	H	H8R	POPI	1	1
	51.77	7.91	48.8
	65	H	H8S	POPI	1	1
	50.26	7.08	48.37
	66	C	C29	POPI	1	1
	51.35	5.71	48.97
	67	H	H91	POPI	1	1
	52.18	5.59	49.65
	68	C	C210	POPI	1	1
	50.61	4.76	48.36
	69	H	H101	POPI	1	1
	51.11	3.8	48.38
	70	C	C211	POPI	1	1
	49.27	4.79	47.59
	71	H	H11R	POPI	1	1
	48.35	5.14	48.12
	72	H	H11S	POPI	1	1
	49.03	3.74	47.38
	73	C	C212	POPI	1	1
	49.23	5.57	46.26
	74	H	H12R	POPI	1	1
	49.4	6.62	46.49
	75	H	H12S	POPI	1	1
	48.24	5.56	45.73
	76	C	C213	POPI	1	1
	50.24	5.06	45.26
	77	H	H13R	POPI	1	1
	51.26	5	45.69
	78	H	H13S	POPI	1	1
	50.34	5.7	44.37
	79	C	C214	POPI	1	1
	49.71	3.74	44.77
	80	H	H14R	POPI	1	1
	48.67	3.77	44.38
	81	H	H14S	POPI	1	1
	49.83	2.92	45.53
	82	C	C215	POPI	1	1
	50.62	3.29	43.7
	83	H	H15R	POPI	1	1
	50.3	2.22	43.59
	84	H	H15S	POPI	1	1
	51.58	3.34	44.24
	85	C	C216	POPI	1	1
	50.75	4.12	42.38
	86	H	H16R	POPI	1	1
	50.8	5.18	42.56
	87	H	H16S	POPI	1	1
	49.68	3.93	42.02
	88	C	C217	POPI	1	1
	52	4.2	41.26
	89	H	H17R	POPI	1	1
	51.59	5	40.68
	90	H	H17S	POPI	1	1
	52.11	3.37	40.56
	91	C	C218	POPI	1	1
	53.49	3.81	40.97
	92	H	H18R	POPI	1	1
	53.98	4.73	41.08
	93	H	H18S	POPI	1	1
	53.99	3.36	41.79
	94	H	H18T	POPI	1	1
	53.73	2.97	40.18
	95	C	C33	POPI	1	1
	51.96	2.15	50.44
	96	H	H3X	POPI	1	1
	51.76	2.23	49.35
	97	H	H3Y	POPI	1	1
	51.66	1.12	50.76
	98	C	C34	POPI	1	1
	53.45	2.31	50.59
	99	H	H4X	POPI	1	1
	53.93	1.66	49.84
	100	H	H4Y	POPI	1	1
	53.7	1.87	51.58
	101	C	C35	POPI	1	1
	53.85	3.79	50.31
	102	H	H5X	POPI	1	1
	53.62	4.49	51.16
	103	H	H5Y	POPI	1	1
	53.32	4.06	49.4
	104	C	C36	POPI	1	1
	55.28	3.87	49.84
	105	H	H6X	POPI	1	1
	55.59	2.85	49.62
	106	H	H6Y	POPI	1	1
	55.39	4.2	50.88
	107	C	C37	POPI	1	1
	56.38	4.92	49.66
	108	H	H7X	POPI	1	1
	57.4	4.48	49.6
	109	H	H7Y	POPI	1	1
	56.47	5.65	50.51
	110	C	C38	POPI	1	1
	56.02	5.43	48.35
	111	H	H8X	POPI	1	1
	55.74	4.58	47.68
	112	H	H8Y	POPI	1	1
	56.89	5.98	47.94
	113	C	C39	POPI	1	1
	54.86	6.34	48.53
	114	H	H9X	POPI	1	1
	55.12	7.1	49.3
	115	H	H9Y	POPI	1	1
	53.93	5.88	48.92
	116	C	C310	POPI	1	1
	54.63	6.94	47.18
	117	H	H10X	POPI	1	1
	55.59	7.39	46.83
	118	H	H10Y	POPI	1	1
	53.88	7.67	47.42
	119	C	C311	POPI	1	1
	54.01	6.05	46.1
	120	H	H11X	POPI	1	1
	53.08	5.61	46.52
	121	H	H11Y	POPI	1	1
	54.7	5.22	45.86
	122	C	C312	POPI	1	1
	53.59	6.79	44.82
	123	H	H12X	POPI	1	1
	52.67	7.39	45.03
	124	H	H12Y	POPI	1	1
	53.32	6.02	44.06
	125	C	C313	POPI	1	1
	54.64	7.73	44.22
	126	H	H13X	POPI	1	1
	55.65	7.3	44.39
	127	H	H13Y	POPI	1	1
	54.57	8.73	44.72
	128	C	C314	POPI	1	1
	54.54	7.85	42.71
	129	H	H14X	POPI	1	1
	54.57	6.86	42.21
	130	H	H14Y	POPI	1	1
	55.37	8.48	42.3
	131	C	C315	POPI	1	1
	53.24	8.45	42.31
	132	H	H15X	POPI	1	1
	52.35	8.07	42.81
	133	H	H15Y	POPI	1	1
	53.08	8.15	41.25
	134	C	C316	POPI	1	1
	53.27	9.93	42.54
	135	H	H16X	POPI	1	1
	52.74	10.26	43.44
	136	H	H16Y	POPI	1	1
	54.28	10.4	42.5
	137	H	H16Z	POPI	1	1
	52.64	10.31	41.73

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

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

