# --------------------------------------------------------------------------
#
# 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 POPI25.gro
#
#---------------------------------------------------------------------------

data_POPI25

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

_entry.id	POPI25

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

_chemical.entry_id	POPI25
_chemical.name_common	'POPI25'

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

_chemical_formula.entry_id	POPI25
_chemical_formula.structural	'C43H83O19P3'

###############
## 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	POPI25	1	1
	0.63	15.12	61.76
	2	H	H2	POPI25	1	1
	0.38	14.51	60.85
	3	O	O2	POPI25	1	1
	-0.62	15.59	62.02
	4	H	HO2	POPI25	1	1
	-0.66	16.47	62.45
	5	C	C13	POPI25	1	1
	1.02	14.47	63.06
	6	H	H3	POPI25	1	1
	1.79	13.79	62.69
	7	O	O3	POPI25	1	1
	0.58	13.37	63.55
	8	H	HO3	POPI25	1	1
	-0.37	13.23	63.65
	9	C	C14	POPI25	1	1
	1.12	15.33	64.32
	10	H	H4	POPI25	1	1
	0.21	16.01	64.37
	11	O	O4	POPI25	1	1
	1.3	14.68	65.65
	12	P	P4	POPI25	1	1
	0.14	14.47	66.87
	13	O	OP42	POPI25	1	1
	0.5	13.34	67.86
	14	O	OP43	POPI25	1	1
	0.38	15.75	67.63
	15	O	OP44	POPI25	1	1
	-1.27	14.43	66.46
	16	C	C15	POPI25	1	1
	2.23	16.19	63.92
	17	H	H5	POPI25	1	1
	3.04	15.44	63.7
	18	O	O5	POPI25	1	1
	2.44	16.98	65.07
	19	P	P5	POPI25	1	1
	3.84	16.85	65.89
	20	O	OP52	POPI25	1	1
	4.27	15.41	66.46
	21	H	HP52	POPI25	1	1
	3.53	14.79	66.36
	22	O	OP53	POPI25	1	1
	3.79	17.57	67.21
	23	O	OP54	POPI25	1	1
	4.98	17.26	64.99
	24	C	C16	POPI25	1	1
	1.98	17.01	62.66
	25	H	H6	POPI25	1	1
	1.09	17.67	62.84
	26	O	O6	POPI25	1	1
	3.13	17.79	62.4
	27	H	HO6	POPI25	1	1
	3.51	17.41	61.6
	28	C	C11	POPI25	1	1
	1.78	16.07	61.47
	29	H	H1	POPI25	1	1
	2.61	15.33	61.42
	30	P	P	POPI25	1	1
	2.91	16.81	59.11
	31	O	O13	POPI25	1	1
	2.99	15.47	58.51
	32	O	O14	POPI25	1	1
	4.13	17.37	59.74
	33	O	O12	POPI25	1	1
	1.74	16.8	60.22
	34	O	O11	POPI25	1	1
	2.33	17.89	58.09
	35	C	C1	POPI25	1	1
	1.8	19.17	58.45
	36	H	HA	POPI25	1	1
	2.57	19.95	58.27
	37	H	HB	POPI25	1	1
	1.48	19.24	59.52
	38	C	C2	POPI25	1	1
	0.58	19.51	57.57
	39	H	HS	POPI25	1	1
	0.15	20.46	57.96
	40	O	O21	POPI25	1	1
	-0.33	18.4	57.49
	41	C	C21	POPI25	1	1
	-1.26	18.14	58.31
	42	O	O22	POPI25	1	1
	-1.66	18.75	59.27
	43	C	C22	POPI25	1	1
	-2.17	17.14	57.84
	44	H	H2R	POPI25	1	1
	-2.74	17.65	57.03
	45	H	H2S	POPI25	1	1
	-2.84	16.97	58.73
	46	C	C3	POPI25	1	1
	0.94	19.84	56.1
	47	H	HX	POPI25	1	1
	0.01	20.1	55.55
	48	H	HY	POPI25	1	1
	1.59	20.75	56.09
	49	O	O31	POPI25	1	1
	1.49	18.68	55.47
	50	C	C31	POPI25	1	1
	2.74	18.74	55.08
	51	O	O32	POPI25	1	1
	3.45	19.73	55.13
	52	C	C32	POPI25	1	1
	3.14	17.4	54.5
	53	H	H2X	POPI25	1	1
	2.28	16.69	54.51
	54	H	H2Y	POPI25	1	1
	3.96	17.01	55.14
	55	C	C23	POPI25	1	1
	-1.43	15.87	57.58
	56	H	H3R	POPI25	1	1
	-1.87	15.13	58.29
	57	H	H3S	POPI25	1	1
	-0.34	15.92	57.76
	58	C	C24	POPI25	1	1
	-1.62	15.41	56.16
	59	H	H4R	POPI25	1	1
	-2.72	15.29	56.1
	60	H	H4S	POPI25	1	1
	-1.07	14.44	56.04
	61	C	C25	POPI25	1	1
	-1.15	16.34	55.03
	62	H	H5R	POPI25	1	1
	-0.13	16.7	55.26
	63	H	H5S	POPI25	1	1
	-1.84	17.21	54.95
	64	C	C26	POPI25	1	1
	-1.15	15.62	53.67
	65	H	H6R	POPI25	1	1
	-2.2	15.51	53.36
	66	H	H6S	POPI25	1	1
	-0.65	14.64	53.75
	67	C	C27	POPI25	1	1
	-0.51	16.36	52.53
	68	H	H7R	POPI25	1	1
	0.47	16.72	52.9
	69	H	H7S	POPI25	1	1
	-1.16	17.23	52.29
	70	C	C28	POPI25	1	1
	-0.18	15.48	51.31
	71	H	H8R	POPI25	1	1
	0.71	14.87	51.58
	72	H	H8S	POPI25	1	1
	0.14	16.19	50.51
	73	C	C29	POPI25	1	1
	-1.23	14.51	50.84
	74	H	H91	POPI25	1	1
	-1.17	13.53	51.35
	75	C	C210	POPI25	1	1
	-2.16	14.68	49.89
	76	H	H101	POPI25	1	1
	-2.88	13.87	49.7
	77	C	C211	POPI25	1	1
	-2.35	15.92	49.07
	78	H	H11R	POPI25	1	1
	-2.12	16.85	49.64
	79	H	H11S	POPI25	1	1
	-3.41	16.01	48.73
	80	C	C212	POPI25	1	1
	-1.36	16.02	47.91
	81	H	H12R	POPI25	1	1
	-1.49	15.21	47.15
	82	H	H12S	POPI25	1	1
	-0.3	16.06	48.24
	83	C	C213	POPI25	1	1
	-1.49	17.35	47.26
	84	H	H13R	POPI25	1	1
	-1.29	18.28	47.83
	85	H	H13S	POPI25	1	1
	-2.58	17.46	47.41
	86	C	C214	POPI25	1	1
	-0.66	17.3	45.93
	87	H	H14R	POPI25	1	1
	0.33	16.93	46.07
	88	H	H14S	POPI25	1	1
	-0.34	18.35	45.8
	89	C	C215	POPI25	1	1
	-1.24	16.51	44.66
	90	H	H15R	POPI25	1	1
	-2.27	16.7	44.53
	91	H	H15S	POPI25	1	1
	-1.3	15.45	44.9
	92	C	C216	POPI25	1	1
	-0.96	16.81	43.14
	93	H	H16R	POPI25	1	1
	-1.85	16.59	42.47
	94	H	H16S	POPI25	1	1
	-0.03	16.32	42.86
	95	C	C217	POPI25	1	1
	-0.6	18.19	42.78
	96	H	H17R	POPI25	1	1
	0.01	18.59	43.61
	97	H	H17S	POPI25	1	1
	-1.5	18.79	42.56
	98	C	C218	POPI25	1	1
	-0.11	18.62	41.46
	99	H	H18R	POPI25	1	1
	-0.99	18.7	40.76
	100	H	H18S	POPI25	1	1
	0.29	19.57	41.91
	101	H	H18T	POPI25	1	1
	0.65	18.24	40.84
	102	C	C33	POPI25	1	1
	3.62	17.53	53.04
	103	H	H3X	POPI25	1	1
	4.55	18.14	53.07
	104	H	H3Y	POPI25	1	1
	2.87	18.08	52.43
	105	C	C34	POPI25	1	1
	3.91	16.14	52.47
	106	H	H4X	POPI25	1	1
	3.05	15.44	52.63
	107	H	H4Y	POPI25	1	1
	4.78	15.75	53.03
	108	C	C35	POPI25	1	1
	4.25	16.16	50.98
	109	H	H5X	POPI25	1	1
	5.31	16.46	50.88
	110	H	H5Y	POPI25	1	1
	3.6	16.91	50.46
	111	C	C36	POPI25	1	1
	4.03	14.82	50.28
	112	H	H6X	POPI25	1	1
	3	14.47	50.46
	113	H	H6Y	POPI25	1	1
	4.74	14.06	50.69
	114	C	C37	POPI25	1	1
	4.2	14.89	48.77
	115	H	H7X	POPI25	1	1
	4.51	13.9	48.36
	116	H	H7Y	POPI25	1	1
	4.94	15.67	48.55
	117	C	C38	POPI25	1	1
	3.18	15.63	47.95
	118	H	H8X	POPI25	1	1
	3.22	16.7	48.24
	119	H	H8Y	POPI25	1	1
	2.16	15.31	48.19
	120	C	C39	POPI25	1	1
	3.41	15.46	46.45
	121	H	H9X	POPI25	1	1
	2.85	14.59	46.18
	122	H	H9Y	POPI25	1	1
	4.4	15.14	46.12
	123	C	C310	POPI25	1	1
	2.96	16.68	45.67
	124	H	H10X	POPI25	1	1
	3.76	17.43	45.75
	125	H	H10Y	POPI25	1	1
	2.11	17.09	46.22
	126	C	C311	POPI25	1	1
	2.58	16.46	44.21
	127	H	H11X	POPI25	1	1
	2.26	17.42	43.75
	128	H	H11Y	POPI25	1	1
	1.74	15.74	44.09
	129	C	C312	POPI25	1	1
	3.74	15.89	43.42
	130	H	H12X	POPI25	1	1
	4.06	14.99	43.97
	131	H	H12Y	POPI25	1	1
	4.66	16.5	43.47
	132	C	C313	POPI25	1	1
	3.31	15.56	41.99
	133	H	H13X	POPI25	1	1
	2.63	14.69	41.9
	134	H	H13Y	POPI25	1	1
	4.17	15.2	41.44
	135	C	C314	POPI25	1	1
	2.76	16.78	41.25
	136	H	H14X	POPI25	1	1
	1.75	17	41.59
	137	H	H14Y	POPI25	1	1
	2.59	16.45	40.2
	138	C	C315	POPI25	1	1
	3.64	18.05	41.47
	139	H	H15X	POPI25	1	1
	4.71	17.77	41.53
	140	H	H15Y	POPI25	1	1
	3.56	18.44	42.5
	141	C	C316	POPI25	1	1
	3.41	19.2	40.47
	142	H	H16X	POPI25	1	1
	3.57	18.93	39.4
	143	H	H16Y	POPI25	1	1
	2.37	19.54	40.51
	144	H	H16Z	POPI25	1	1
	4.11	20.03	40.7

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

_cell.entry_id	POPI25
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

