# --------------------------------------------------------------------------
#
# 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 POPI13.gro
#
#---------------------------------------------------------------------------

data_POPI13

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

_entry.id	POPI13

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

_chemical.entry_id	POPI13
_chemical.name_common	'POPI13'

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

_chemical_formula.entry_id	POPI13
_chemical_formula.structural	'C43H82O16P2'

###############
## 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	POPI13	1	1
	6.93	32.3	62.41
	2	H	H2	POPI13	1	1
	7.59	31.41	62.56
	3	O	O2	POPI13	1	1
	5.64	31.76	62.2
	4	H	HO2	POPI13	1	1
	5.75	31.19	61.44
	5	C	C13	POPI13	1	1
	7.01	33.19	63.66
	6	H	H3	POPI13	1	1
	8.08	33.47	63.81
	7	O	O3	POPI13	1	1
	6.51	32.43	64.76
	8	P	P3	POPI13	1	1
	7.5	31.5	65.68
	9	O	OP32	POPI13	1	1
	7.82	32.38	66.87
	10	O	OP33	POPI13	1	1
	8.72	31.15	64.83
	11	O	OP34	POPI13	1	1
	6.65	30.28	66.06
	12	C	C14	POPI13	1	1
	6.19	34.47	63.49
	13	H	H4	POPI13	1	1
	5.14	34.2	63.36
	14	O	O4	POPI13	1	1
	6.22	35.32	64.66
	15	H	HO4	POPI13	1	1
	6.74	34.84	65.32
	16	C	C15	POPI13	1	1
	6.68	35.21	62.25
	17	H	H5	POPI13	1	1
	7.77	35.41	62.38
	18	O	O5	POPI13	1	1
	6.1	36.51	62.12
	19	H	HO5	POPI13	1	1
	5.14	36.43	62.15
	20	C	C16	POPI13	1	1
	6.58	34.33	60.99
	21	H	H6	POPI13	1	1
	5.56	34.02	60.82
	22	O	O6	POPI13	1	1
	6.86	35.06	59.8
	23	H	HO6	POPI13	1	1
	7.79	35	59.59
	24	C	C11	POPI13	1	1
	7.41	33.06	61.17
	25	H	H1	POPI13	1	1
	8.47	33.39	61.35
	26	P	P	POPI13	1	1
	8.66	31.8	59.21
	27	O	O13	POPI13	1	1
	9.57	30.96	60.03
	28	O	O14	POPI13	1	1
	9.24	33.01	58.6
	29	O	O12	POPI13	1	1
	7.31	32.15	60.06
	30	O	O11	POPI13	1	1
	8.11	30.9	58.04
	31	C	C1	POPI13	1	1
	7.91	29.51	58.32
	32	H	HA	POPI13	1	1
	7.14	29.37	59.13
	33	H	HB	POPI13	1	1
	8.86	29.02	58.62
	34	C	C2	POPI13	1	1
	7.42	28.73	57.09
	35	H	HS	POPI13	1	1
	7.51	27.64	57.29
	36	O	O21	POPI13	1	1
	8.1	29.14	55.88
	37	C	C21	POPI13	1	1
	8.13	28.24	54.9
	38	O	O22	POPI13	1	1
	7.69	27.11	54.97
	39	C	C22	POPI13	1	1
	8.87	28.83	53.71
	40	H	H2R	POPI13	1	1
	9.77	29.37	54.09
	41	H	H2S	POPI13	1	1
	8.22	29.57	53.21
	42	C	C3	POPI13	1	1
	5.94	29	56.99
	43	H	HX	POPI13	1	1
	5.65	28.53	56
	44	H	HY	POPI13	1	1
	5.44	28.53	57.85
	45	O	O31	POPI13	1	1
	5.66	30.38	57.15
	46	C	C31	POPI13	1	1
	5.17	30.83	56.08
	47	O	O32	POPI13	1	1
	4.42	30.26	55.31
	48	C	C32	POPI13	1	1
	5.66	32.25	55.91
	49	H	H2X	POPI13	1	1
	6.72	32.42	55.88
	50	H	H2Y	POPI13	1	1
	5.22	32.77	56.82
	51	C	C23	POPI13	1	1
	9.29	27.68	52.77
	52	H	H3R	POPI13	1	1
	8.37	27.26	52.29
	53	H	H3S	POPI13	1	1
	9.79	26.89	53.37
	54	C	C24	POPI13	1	1
	10.28	28.06	51.68
	55	H	H4R	POPI13	1	1
	10.53	27.17	51.06
	56	H	H4S	POPI13	1	1
	11.22	28.46	52.13
	57	C	C25	POPI13	1	1
	9.72	29.17	50.83
	58	H	H5R	POPI13	1	1
	9.58	30.07	51.47
	59	H	H5S	POPI13	1	1
	8.76	28.92	50.34
	60	C	C26	POPI13	1	1
	10.65	29.53	49.73
	61	H	H6R	POPI13	1	1
	10.64	28.78	48.91
	62	H	H6S	POPI13	1	1
	11.7	29.57	50.11
	63	C	C27	POPI13	1	1
	10.16	30.88	49.23
	64	H	H7R	POPI13	1	1
	10.43	31.72	49.94
	65	H	H7S	POPI13	1	1
	9.11	30.94	48.9
	66	C	C28	POPI13	1	1
	10.86	31.18	47.98
	67	H	H8R	POPI13	1	1
	11.75	30.77	48.44
	68	H	H8S	POPI13	1	1
	10.9	32.29	47.87
	69	C	C29	POPI13	1	1
	10.88	30.48	46.68
	70	H	H91	POPI13	1	1
	11.57	29.64	46.53
	71	C	C210	POPI13	1	1
	10.2	31	45.67
	72	H	H101	POPI13	1	1
	10.25	30.48	44.71
	73	C	C211	POPI13	1	1
	9.39	32.26	45.75
	74	H	H11R	POPI13	1	1
	9.74	33.04	46.48
	75	H	H11S	POPI13	1	1
	8.35	32.02	46.03
	76	C	C212	POPI13	1	1
	9.27	32.81	44.36
	77	H	H12R	POPI13	1	1
	8.5	33.61	44.3
	78	H	H12S	POPI13	1	1
	9.25	32.1	43.51
	79	C	C213	POPI13	1	1
	10.44	33.58	44.09
	80	H	H13R	POPI13	1	1
	11.3	32.87	44.03
	81	H	H13S	POPI13	1	1
	10.5	34.28	44.95
	82	C	C214	POPI13	1	1
	10.22	34.38	42.84
	83	H	H14R	POPI13	1	1
	11.19	34.66	43.12
	84	H	H14S	POPI13	1	1
	9.93	35.45	42.92
	85	C	C215	POPI13	1	1
	10.28	33.58	41.49
	86	H	H15R	POPI13	1	1
	10.41	34.26	40.61
	87	H	H15S	POPI13	1	1
	9.27	33.19	41.38
	88	C	C216	POPI13	1	1
	11.47	32.5	41.38
	89	H	H16R	POPI13	1	1
	11.36	31.78	42.19
	90	H	H16S	POPI13	1	1
	12.52	32.83	41.52
	91	C	C217	POPI13	1	1
	11.78	31.93	39.99
	92	H	H17R	POPI13	1	1
	11.96	32.74	39.24
	93	H	H17S	POPI13	1	1
	10.85	31.39	39.75
	94	C	C218	POPI13	1	1
	12.97	30.95	39.91
	95	H	H18R	POPI13	1	1
	13.96	31.37	40.21
	96	H	H18S	POPI13	1	1
	12.79	30.07	40.55
	97	H	H18T	POPI13	1	1
	13.07	30.63	38.85
	98	C	C33	POPI13	1	1
	5.13	32.75	54.59
	99	H	H3X	POPI13	1	1
	4.92	33.66	54.16
	100	H	H3Y	POPI13	1	1
	4.25	32.64	55.21
	101	C	C34	POPI13	1	1
	5.3	32.52	53.07
	102	H	H4X	POPI13	1	1
	4.97	33.28	52.29
	103	H	H4Y	POPI13	1	1
	4.72	31.77	52.58
	104	C	C35	POPI13	1	1
	6.58	31.96	53.05
	105	H	H5X	POPI13	1	1
	6.41	30.94	53.48
	106	H	H5Y	POPI13	1	1
	7.15	32.58	53.77
	107	C	C36	POPI13	1	1
	7.03	32.07	51.65
	108	H	H6X	POPI13	1	1
	8.08	31.77	51.8
	109	H	H6Y	POPI13	1	1
	6.94	33.13	51.3
	110	C	C37	POPI13	1	1
	6.23	31.21	50.65
	111	H	H7X	POPI13	1	1
	6.9	31.06	49.78
	112	H	H7Y	POPI13	1	1
	5.35	31.8	50.29
	113	C	C38	POPI13	1	1
	5.77	29.85	51.19
	114	H	H8X	POPI13	1	1
	4.94	29.96	51.92
	115	H	H8Y	POPI13	1	1
	6.62	29.39	51.73
	116	C	C39	POPI13	1	1
	5.27	28.85	50.13
	117	H	H9X	POPI13	1	1
	4.34	29.24	49.67
	118	H	H9Y	POPI13	1	1
	4.99	27.94	50.71
	119	C	C310	POPI13	1	1
	6.34	28.46	49.08
	120	H	H10X	POPI13	1	1
	7.13	27.88	49.59
	121	H	H10Y	POPI13	1	1
	6.79	29.37	48.64
	122	C	C311	POPI13	1	1
	5.78	27.7	47.88
	123	H	H11X	POPI13	1	1
	5.04	28.41	47.46
	124	H	H11Y	POPI13	1	1
	5.27	26.78	48.27
	125	C	C312	POPI13	1	1
	6.71	27.33	46.7
	126	H	H12X	POPI13	1	1
	6.09	26.82	45.92
	127	H	H12Y	POPI13	1	1
	7.46	26.61	47.08
	128	C	C313	POPI13	1	1
	7.42	28.51	45.99
	129	H	H13X	POPI13	1	1
	8.21	28.89	46.67
	130	H	H13Y	POPI13	1	1
	6.68	29.33	45.84
	131	C	C314	POPI13	1	1
	8.06	28.17	44.61
	132	H	H14X	POPI13	1	1
	8.5	27.15	44.65
	133	H	H14Y	POPI13	1	1
	8.91	28.86	44.42
	134	C	C315	POPI13	1	1
	7.12	28.33	43.4
	135	H	H15X	POPI13	1	1
	6.71	29.37	43.41
	136	H	H15Y	POPI13	1	1
	6.27	27.63	43.52
	137	C	C316	POPI13	1	1
	7.79	28.09	42.03
	138	H	H16X	POPI13	1	1
	8.63	28.8	41.87
	139	H	H16Y	POPI13	1	1
	8.19	27.05	41.98
	140	H	H16Z	POPI13	1	1
	7.06	28.21	41.19

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

_cell.entry_id	POPI13
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

