# --------------------------------------------------------------------------
#
# 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 DMPI13.gro
#
#---------------------------------------------------------------------------

data_DMPI13

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

_entry.id	DMPI13

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

_chemical.entry_id	DMPI13
_chemical.name_common	'DMPI13'

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

_chemical_formula.entry_id	DMPI13
_chemical_formula.structural	'C37H74O16P2'

###############
## 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	DMPI13	1	1
	47.55	30.58	60.55
	2	H	H2	DMPI13	1	1
	47.2	29.56	60.25
	3	O	O2	DMPI13	1	1
	46.66	31.52	60.01
	4	H	HO2	DMPI13	1	1
	45.89	30.99	59.76
	5	C	C13	DMPI13	1	1
	47.55	30.71	62.07
	6	H	H3	DMPI13	1	1
	48.19	29.95	62.45
	7	O	O3	DMPI13	1	1
	46.26	30.48	62.64
	8	P	P3	DMPI13	1	1
	45.74	28.92	62.85
	9	O	OP32	DMPI13	1	1
	45.61	28.25	61.47
	10	O	OP33	DMPI13	1	1
	44.4	29.03	63.59
	11	O	OP34	DMPI13	1	1
	46.84	28.22	63.65
	12	C	C14	DMPI13	1	1
	48.16	32.03	62.54
	13	H	H4	DMPI13	1	1
	47.53	32.86	62.16
	14	O	O4	DMPI13	1	1
	48.25	32.13	63.98
	15	H	HO4	DMPI13	1	1
	47.37	32.42	64.25
	16	C	C15	DMPI13	1	1
	49.57	32.13	62
	17	H	H5	DMPI13	1	1
	50.14	31.25	62.4
	18	O	O5	DMPI13	1	1
	50.25	33.3	62.48
	19	H	HO5	DMPI13	1	1
	51.11	32.96	62.7
	20	C	C16	DMPI13	1	1
	49.63	32.02	60.49
	21	H	H6	DMPI13	1	1
	49.08	32.86	60.04
	22	O	O6	DMPI13	1	1
	51.01	32.14	60.11
	23	H	HO6	DMPI13	1	1
	51.18	33.08	59.97
	24	C	C11	DMPI13	1	1
	48.99	30.71	60.03
	25	H	H1	DMPI13	1	1
	49.6	29.86	60.41
	26	P	P	DMPI13	1	1
	49.06	29.39	57.68
	27	O	O13	DMPI13	1	1
	50.38	28.83	58.04
	28	O	O14	DMPI13	1	1
	47.95	28.44	57.92
	29	O	O11	DMPI13	1	1
	49.08	30.02	56.23
	30	O	O12	DMPI13	1	1
	48.93	30.71	58.6
	31	C	C1	DMPI13	1	1
	47.92	30.39	55.48
	32	H	HA	DMPI13	1	1
	48.24	31.13	54.72
	33	H	HB	DMPI13	1	1
	47.12	30.85	56.1
	34	C	C2	DMPI13	1	1
	47.38	29.19	54.68
	35	H	HS	DMPI13	1	1
	46.7	28.62	55.37
	36	O	O21	DMPI13	1	1
	48.56	28.46	54.29
	37	C	C21	DMPI13	1	1
	48.38	27.22	53.94
	38	O	O22	DMPI13	1	1
	47.32	26.65	53.94
	39	C	C22	DMPI13	1	1
	49.66	26.68	53.31
	40	H	H2R	DMPI13	1	1
	49.73	25.59	53.51
	41	H	H2S	DMPI13	1	1
	50.51	27.19	53.79
	42	C	C3	DMPI13	1	1
	46.53	29.65	53.43
	43	H	HX	DMPI13	1	1
	45.74	30.34	53.81
	44	H	HY	DMPI13	1	1
	46.03	28.77	52.97
	45	O	O31	DMPI13	1	1
	47.36	30.31	52.45
	46	C	C31	DMPI13	1	1
	46.66	30.63	51.36
	47	O	O32	DMPI13	1	1
	45.45	30.57	51.26
	48	C	C32	DMPI13	1	1
	47.62	31.08	50.26
	49	H	H2X	DMPI13	1	1
	47.92	30.2	49.65
	50	H	H2Y	DMPI13	1	1
	48.53	31.47	50.77
	51	C	C23	DMPI13	1	1
	49.68	27.05	51.81
	52	H	H3R	DMPI13	1	1
	50.73	27.29	51.54
	53	H	H3S	DMPI13	1	1
	49.1	27.99	51.66
	54	C	C24	DMPI13	1	1
	49.14	25.96	50.88
	55	H	H4R	DMPI13	1	1
	48.28	25.43	51.37
	56	H	H4S	DMPI13	1	1
	49.94	25.21	50.7
	57	C	C25	DMPI13	1	1
	48.62	26.49	49.53
	58	H	H5R	DMPI13	1	1
	47.7	27.09	49.72
	59	H	H5S	DMPI13	1	1
	48.31	25.62	48.9
	60	C	C26	DMPI13	1	1
	49.59	27.37	48.76
	61	H	H6R	DMPI13	1	1
	50.41	26.79	48.34
	62	H	H6S	DMPI13	1	1
	50	28.17	49.4
	63	C	C27	DMPI13	1	1
	48.92	27.94	47.52
	64	H	H7R	DMPI13	1	1
	48.22	28.72	47.83
	65	H	H7S	DMPI13	1	1
	48.39	27.12	46.97
	66	C	C28	DMPI13	1	1
	49.86	28.57	46.54
	67	H	H8R	DMPI13	1	1
	50.78	29.01	47.02
	68	H	H8S	DMPI13	1	1
	49.38	29.33	45.89
	69	C	C29	DMPI13	1	1
	50.22	27.53	45.55
	70	H	H9R	DMPI13	1	1
	50.37	26.54	45.87
	71	H	H9S	DMPI13	1	1
	51.17	27.94	45.56
	72	C	C210	DMPI13	1	1
	49.68	27.59	44.17
	73	H	H10R	DMPI13	1	1
	49.54	28.64	43.83
	74	H	H10S	DMPI13	1	1
	48.77	26.98	44.16
	75	C	C211	DMPI13	1	1
	50.54	27.07	43.08
	76	H	H11R	DMPI13	1	1
	51.06	26.11	43.17
	77	H	H11S	DMPI13	1	1
	51.47	27.57	43.04
	78	C	C212	DMPI13	1	1
	49.7	27.33	41.84
	79	H	H12R	DMPI13	1	1
	48.84	26.79	41.46
	80	H	H12S	DMPI13	1	1
	50.07	26.29	41.62
	81	C	C213	DMPI13	1	1
	50.26	28.77	41.2
	82	H	H13R	DMPI13	1	1
	51.32	28.76	41.31
	83	H	H13S	DMPI13	1	1
	50.11	29.48	41.97
	84	C	C214	DMPI13	1	1
	49.96	29.81	40.01
	85	H	H14R	DMPI13	1	1
	50.74	30.12	39.23
	86	H	H14S	DMPI13	1	1
	50.44	29.65	39.02
	87	H	H14T	DMPI13	1	1
	48.96	29.42	39.73
	88	C	C33	DMPI13	1	1
	47.03	32.21	49.4
	89	H	H3X	DMPI13	1	1
	46.43	32.87	50.06
	90	H	H3Y	DMPI13	1	1
	46.29	31.83	48.66
	91	C	C34	DMPI13	1	1
	48.12	33.07	48.75
	92	H	H4X	DMPI13	1	1
	48.77	33.49	49.55
	93	H	H4Y	DMPI13	1	1
	47.64	33.93	48.23
	94	C	C35	DMPI13	1	1
	49.01	32.31	47.79
	95	H	H5X	DMPI13	1	1
	48.38	31.63	47.17
	96	H	H5Y	DMPI13	1	1
	49.74	31.68	48.35
	97	C	C36	DMPI13	1	1
	49.8	33.23	46.86
	98	H	H6X	DMPI13	1	1
	50.34	34	47.46
	99	H	H6Y	DMPI13	1	1
	49.1	33.74	46.17
	100	C	C37	DMPI13	1	1
	50.83	32.38	46.12
	101	H	H7X	DMPI13	1	1
	50.39	31.39	45.91
	102	H	H7Y	DMPI13	1	1
	51.66	32.2	46.86
	103	C	C38	DMPI13	1	1
	51.46	33	44.87
	104	H	H8X	DMPI13	1	1
	52.24	32.29	44.51
	105	H	H8Y	DMPI13	1	1
	51.96	33.94	45.2
	106	C	C39	DMPI13	1	1
	50.55	33.37	43.68
	107	H	H9X	DMPI13	1	1
	51.14	34.05	43.01
	108	H	H9Y	DMPI13	1	1
	49.66	33.95	44
	109	C	C310	DMPI13	1	1
	50.12	32.17	42.82
	110	H	H10X	DMPI13	1	1
	51.02	31.53	42.69
	111	H	H10Y	DMPI13	1	1
	49.82	32.53	41.81
	112	C	C311	DMPI13	1	1
	48.93	31.37	43.38
	113	H	H11X	DMPI13	1	1
	49.16	31.01	44.39
	114	H	H11Y	DMPI13	1	1
	48.81	30.48	42.74
	115	C	C312	DMPI13	1	1
	47.55	32.07	43.38
	116	H	H12X	DMPI13	1	1
	47.39	32.44	42.34
	117	H	H12Y	DMPI13	1	1
	47.6	32.96	44.04
	118	C	C313	DMPI13	1	1
	46.36	31.15	43.74
	119	H	H13X	DMPI13	1	1
	45.39	31.7	43.69
	120	H	H13Y	DMPI13	1	1
	46.46	30.83	44.81
	121	C	C314	DMPI13	1	1
	46.26	29.93	42.81
	122	H	H14X	DMPI13	1	1
	46.22	30.27	41.76
	123	H	H14Y	DMPI13	1	1
	47.16	29.28	42.93
	124	H	H14Z	DMPI13	1	1
	45.37	29.3	43

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

_cell.entry_id	DMPI13
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

