# --------------------------------------------------------------------------
#
# 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 POPI24.gro
#
#---------------------------------------------------------------------------

data_POPI24

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

_entry.id	POPI24

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

_chemical.entry_id	POPI24
_chemical.name_common	'POPI24'

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

_chemical_formula.entry_id	POPI24
_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	POPI24	1	1
	47.56	44.91	62.61
	2	H	H2	POPI24	1	1
	48.43	45.22	62.02
	3	O	O2	POPI24	1	1
	47.3	43.54	62.28
	4	H	HO2	POPI24	1	1
	46.8	43.1	62.96
	5	C	C13	POPI24	1	1
	47.92	45.12	64.09
	6	H	H3	POPI24	1	1
	48.16	46.18	64.31
	7	O	O3	POPI24	1	1
	49.04	44.31	64.44
	8	H	HO3	POPI24	1	1
	49.83	44.86	64.38
	9	C	C14	POPI24	1	1
	46.73	44.83	64.97
	10	H	H4	POPI24	1	1
	46.5	43.75	64.86
	11	O	O4	POPI24	1	1
	47.08	45.17	66.32
	12	P	P4	POPI24	1	1
	46.99	44.08	67.53
	13	O	OP42	POPI24	1	1
	48.34	43.33	67.26
	14	H	HP42	POPI24	1	1
	48.63	42.68	67.9
	15	O	OP43	POPI24	1	1
	47.12	44.83	68.89
	16	O	OP44	POPI24	1	1
	45.89	43.02	67.41
	17	C	C15	POPI24	1	1
	45.59	45.75	64.48
	18	H	H5	POPI24	1	1
	45.79	46.81	64.7
	19	O	O5	POPI24	1	1
	44.56	45.35	65.33
	20	P	P5	POPI24	1	1
	43.59	46.07	66.36
	21	O	OP52	POPI24	1	1
	43	44.79	66.9
	22	O	OP53	POPI24	1	1
	44.43	46.66	67.49
	23	O	OP54	POPI24	1	1
	42.84	47.03	65.44
	24	C	C16	POPI24	1	1
	45.24	45.61	62.97
	25	H	H6	POPI24	1	1
	44.89	44.66	62.56
	26	O	O6	POPI24	1	1
	44.14	46.43	62.62
	27	H	HO6	POPI24	1	1
	44.2	46.64	61.7
	28	C	C11	POPI24	1	1
	46.46	45.86	62.16
	29	H	H1	POPI24	1	1
	46.84	46.89	62.37
	30	P	P	POPI24	1	1
	46.66	46.69	59.61
	31	O	O13	POPI24	1	1
	48.14	46.71	59.52
	32	O	O14	POPI24	1	1
	45.94	47.94	59.84
	33	O	O12	POPI24	1	1
	46.15	45.62	60.76
	34	O	O11	POPI24	1	1
	46.04	46.14	58.28
	35	C	C1	POPI24	1	1
	44.65	46.23	57.92
	36	H	HA	POPI24	1	1
	44.38	47.23	57.53
	37	H	HB	POPI24	1	1
	44.03	45.99	58.8
	38	C	C2	POPI24	1	1
	44.29	45.21	56.82
	39	H	HS	POPI24	1	1
	43.44	44.59	57.21
	40	O	O21	POPI24	1	1
	45.49	44.5	56.61
	41	C	C21	POPI24	1	1
	45.29	43.38	56.13
	42	O	O22	POPI24	1	1
	44.18	42.85	55.98
	43	C	C22	POPI24	1	1
	46.7	42.95	55.72
	44	H	H2R	POPI24	1	1
	46.85	42.05	56.36
	45	H	H2S	POPI24	1	1
	47.57	43.47	56.11
	46	C	C3	POPI24	1	1
	43.84	45.85	55.48
	47	H	HX	POPI24	1	1
	43.61	45.06	54.72
	48	H	HY	POPI24	1	1
	42.88	46.35	55.72
	49	O	O31	POPI24	1	1
	44.83	46.8	55.05
	50	C	C31	POPI24	1	1
	45.41	46.6	53.88
	51	O	O32	POPI24	1	1
	45.13	45.73	53.07
	52	C	C32	POPI24	1	1
	46.47	47.68	53.69
	53	H	H2X	POPI24	1	1
	47.41	47.35	54.19
	54	H	H2Y	POPI24	1	1
	46.1	48.6	54.18
	55	C	C23	POPI24	1	1
	46.91	42.94	54.17
	56	H	H3R	POPI24	1	1
	46.55	43.8	53.58
	57	H	H3S	POPI24	1	1
	45.98	42.39	54
	58	C	C24	POPI24	1	1
	48.3	42.33	53.63
	59	H	H4R	POPI24	1	1
	48.56	41.25	53.76
	60	H	H4S	POPI24	1	1
	49.13	42.67	54.24
	61	C	C25	POPI24	1	1
	48.55	42.3	52.14
	62	H	H5R	POPI24	1	1
	47.75	41.8	51.72
	63	H	H5S	POPI24	1	1
	49.34	41.57	51.82
	64	C	C26	POPI24	1	1
	48.42	43.68	51.55
	65	H	H6R	POPI24	1	1
	49.07	44.15	52.32
	66	H	H6S	POPI24	1	1
	47.42	44.1	51.73
	67	C	C27	POPI24	1	1
	48.88	43.93	50.09
	68	H	H7R	POPI24	1	1
	48.27	43.51	49.29
	69	H	H7S	POPI24	1	1
	49.79	43.45	49.76
	70	C	C28	POPI24	1	1
	49.33	45.36	50
	71	H	H8R	POPI24	1	1
	49.97	45.65	50.85
	72	H	H8S	POPI24	1	1
	48.41	45.94	50.2
	73	C	C29	POPI24	1	1
	50.08	45.56	48.7
	74	H	H91	POPI24	1	1
	50.92	44.87	48.49
	75	C	C210	POPI24	1	1
	49.77	46.48	47.81
	76	H	H101	POPI24	1	1
	50.43	46.62	46.94
	77	C	C211	POPI24	1	1
	48.61	47.42	48
	78	H	H11R	POPI24	1	1
	48.83	48.4	47.54
	79	H	H11S	POPI24	1	1
	48.39	47.6	49.08
	80	C	C212	POPI24	1	1
	47.33	46.86	47.36
	81	H	H12R	POPI24	1	1
	46.62	47.71	47.28
	82	H	H12S	POPI24	1	1
	46.87	46.08	48.01
	83	C	C213	POPI24	1	1
	47.56	46.23	45.98
	84	H	H13R	POPI24	1	1
	48.07	45.25	46.13
	85	H	H13S	POPI24	1	1
	48.23	46.92	45.41
	86	C	C214	POPI24	1	1
	46.28	46.02	45.18
	87	H	H14R	POPI24	1	1
	45.85	47	44.89
	88	H	H14S	POPI24	1	1
	45.56	45.47	45.82
	89	C	C215	POPI24	1	1
	46.45	45.2	43.9
	90	H	H15R	POPI24	1	1
	45.45	44.89	43.53
	91	H	H15S	POPI24	1	1
	46.97	44.25	44.18
	92	C	C216	POPI24	1	1
	47.03	46.04	42.74
	93	H	H16R	POPI24	1	1
	46.8	47.1	42.78
	94	H	H16S	POPI24	1	1
	46.63	45.61	41.78
	95	C	C217	POPI24	1	1
	48.5	45.99	42.69
	96	H	H17R	POPI24	1	1
	49.04	45.9	43.67
	97	H	H17S	POPI24	1	1
	49.11	46.57	41.95
	98	C	C218	POPI24	1	1
	48.53	44.72	42.05
	99	H	H18R	POPI24	1	1
	48.44	44.62	40.96
	100	H	H18S	POPI24	1	1
	49.59	44.66	42.22
	101	H	H18T	POPI24	1	1
	47.98	43.89	42.56
	102	C	C33	POPI24	1	1
	46.72	47.89	52.19
	103	H	H3X	POPI24	1	1
	46.98	46.91	51.72
	104	H	H3Y	POPI24	1	1
	47.6	48.55	52.04
	105	C	C34	POPI24	1	1
	45.51	48.43	51.44
	106	H	H4X	POPI24	1	1
	45.37	49.52	51.59
	107	H	H4Y	POPI24	1	1
	44.57	47.92	51.74
	108	C	C35	POPI24	1	1
	45.67	48.12	49.96
	109	H	H5X	POPI24	1	1
	45.96	47.04	49.85
	110	H	H5Y	POPI24	1	1
	46.5	48.76	49.59
	111	C	C36	POPI24	1	1
	44.4	48.37	49.14
	112	H	H6X	POPI24	1	1
	44.63	48.18	48.07
	113	H	H6Y	POPI24	1	1
	44.15	49.45	49.25
	114	C	C37	POPI24	1	1
	43.17	47.52	49.52
	115	H	H7X	POPI24	1	1
	42.38	47.79	48.79
	116	H	H7Y	POPI24	1	1
	42.79	47.85	50.5
	117	C	C38	POPI24	1	1
	43.38	45.99	49.6
	118	H	H8X	POPI24	1	1
	42.4	45.51	49.85
	119	H	H8Y	POPI24	1	1
	44.05	45.8	50.47
	120	C	C39	POPI24	1	1
	43.93	45.29	48.35
	121	H	H9X	POPI24	1	1
	44.3	44.27	48.63
	122	H	H9Y	POPI24	1	1
	44.81	45.84	47.98
	123	C	C310	POPI24	1	1
	42.93	45.08	47.19
	124	H	H10X	POPI24	1	1
	42.02	44.56	47.57
	125	H	H10Y	POPI24	1	1
	43.42	44.39	46.47
	126	C	C311	POPI24	1	1
	42.51	46.35	46.41
	127	H	H11X	POPI24	1	1
	43.37	47.03	46.25
	128	H	H11Y	POPI24	1	1
	41.76	46.91	47
	129	C	C312	POPI24	1	1
	41.85	46	45.07
	130	H	H12X	POPI24	1	1
	41.22	46.84	44.7
	131	H	H12Y	POPI24	1	1
	41.15	45.15	45.25
	132	C	C313	POPI24	1	1
	42.79	45.58	43.93
	133	H	H13X	POPI24	1	1
	43.23	44.59	44.2
	134	H	H13Y	POPI24	1	1
	43.65	46.25	43.72
	135	C	C314	POPI24	1	1
	41.97	45.44	42.65
	136	H	H14X	POPI24	1	1
	41.83	46.41	42.12
	137	H	H14Y	POPI24	1	1
	40.94	45.1	42.94
	138	C	C315	POPI24	1	1
	42.56	44.41	41.7
	139	H	H15X	POPI24	1	1
	43.24	43.72	42.24
	140	H	H15Y	POPI24	1	1
	43.17	44.96	40.94
	141	C	C316	POPI24	1	1
	41.47	43.56	41.1
	142	H	H16X	POPI24	1	1
	41.13	42.74	41.75
	143	H	H16Y	POPI24	1	1
	40.57	44.21	40.95
	144	H	H16Z	POPI24	1	1
	41.81	43.14	40.13

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

_cell.entry_id	POPI24
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

