# --------------------------------------------------------------------------
#
# 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 DMPI14.gro
#
#---------------------------------------------------------------------------

data_DMPI14

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

_entry.id	DMPI14

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

_chemical.entry_id	DMPI14
_chemical.name_common	'DMPI14'

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

_chemical_formula.entry_id	DMPI14
_chemical_formula.structural	'C37H72O16P2'

###############
## 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	DMPI14	1	1
	53.84	53.23	60.28
	2	H	H2	DMPI14	1	1
	54.12	54	59.53
	3	O	O2	DMPI14	1	1
	55	52.39	60.46
	4	H	HO2	DMPI14	1	1
	54.99	52.12	61.37
	5	C	C13	DMPI14	1	1
	53.41	53.95	61.53
	6	H	H3	DMPI14	1	1
	52.64	54.72	61.42
	7	O	O3	DMPI14	1	1
	54.54	54.69	61.71
	8	H	HO3	DMPI14	1	1
	54.97	54.42	62.54
	9	C	C14	DMPI14	1	1
	52.98	53.02	62.68
	10	H	H4	DMPI14	1	1
	53.85	52.39	62.98
	11	O	O4	DMPI14	1	1
	52.4	53.76	63.79
	12	P	P4	DMPI14	1	1
	52.95	53.39	65.3
	13	O	OP42	DMPI14	1	1
	52.54	51.99	65.71
	14	O	OP43	DMPI14	1	1
	52.28	54.39	66.25
	15	O	OP44	DMPI14	1	1
	54.43	53.46	65.11
	16	C	C15	DMPI14	1	1
	51.85	52.19	62.11
	17	H	H5	DMPI14	1	1
	51.01	52.87	61.89
	18	O	O5	DMPI14	1	1
	51.39	51.21	63.05
	19	H	HO5	DMPI14	1	1
	52.1	50.57	63.13
	20	C	C16	DMPI14	1	1
	52.32	51.48	60.84
	21	H	H6	DMPI14	1	1
	53.21	50.85	61.07
	22	O	O6	DMPI14	1	1
	51.29	50.66	60.35
	23	H	HO6	DMPI14	1	1
	51.2	49.85	60.86
	24	C	C11	DMPI14	1	1
	52.7	52.46	59.76
	25	H	H1	DMPI14	1	1
	51.84	53.16	59.58
	26	P	P	DMPI14	1	1
	53.03	52.63	57.16
	27	O	O13	DMPI14	1	1
	51.59	52.71	56.82
	28	O	O14	DMPI14	1	1
	53.79	53.9	57.22
	29	O	O11	DMPI14	1	1
	53.77	51.64	56.19
	30	O	O12	DMPI14	1	1
	53.16	51.8	58.57
	31	C	C1	DMPI14	1	1
	53.5	50.25	56.23
	32	H	HA	DMPI14	1	1
	52.48	50.03	56.62
	33	H	HB	DMPI14	1	1
	54.23	49.73	56.9
	34	C	C2	DMPI14	1	1
	53.66	49.69	54.82
	35	H	HS	DMPI14	1	1
	54.71	49.82	54.45
	36	O	O21	DMPI14	1	1
	52.7	50.25	53.92
	37	C	C21	DMPI14	1	1
	53.05	51.34	53.35
	38	O	O22	DMPI14	1	1
	54.16	51.85	53.31
	39	C	C22	DMPI14	1	1
	51.83	51.8	52.57
	40	H	H2R	DMPI14	1	1
	51.22	52.41	53.27
	41	H	H2S	DMPI14	1	1
	51.23	50.92	52.23
	42	C	C3	DMPI14	1	1
	53.39	48.22	54.82
	43	H	HX	DMPI14	1	1
	52.53	48.01	55.52
	44	H	HY	DMPI14	1	1
	54.32	47.78	55.25
	45	O	O31	DMPI14	1	1
	53.05	47.86	53.46
	46	C	C31	DMPI14	1	1
	54.02	47.56	52.6
	47	O	O32	DMPI14	1	1
	55.2	47.46	52.89
	48	C	C32	DMPI14	1	1
	53.34	46.87	51.38
	49	H	H2X	DMPI14	1	1
	52.65	46.21	51.86
	50	H	H2Y	DMPI14	1	1
	53.95	46.1	50.88
	51	C	C23	DMPI14	1	1
	52.32	52.57	51.36
	52	H	H3R	DMPI14	1	1
	52.96	51.91	50.73
	53	H	H3S	DMPI14	1	1
	52.89	53.46	51.72
	54	C	C24	DMPI14	1	1
	51.22	53.15	50.5
	55	H	H4R	DMPI14	1	1
	50.67	53.73	51.26
	56	H	H4S	DMPI14	1	1
	50.58	52.35	50.06
	57	C	C25	DMPI14	1	1
	51.74	54.09	49.41
	58	H	H5R	DMPI14	1	1
	52.49	54.77	49.88
	59	H	H5S	DMPI14	1	1
	50.94	54.72	48.98
	60	C	C26	DMPI14	1	1
	52.4	53.31	48.28
	61	H	H6R	DMPI14	1	1
	51.67	52.61	47.82
	62	H	H6S	DMPI14	1	1
	53.21	52.7	48.73
	63	C	C27	DMPI14	1	1
	52.96	54.23	47.19
	64	H	H7R	DMPI14	1	1
	52.72	55.3	47.35
	65	H	H7S	DMPI14	1	1
	52.48	53.93	46.23
	66	C	C28	DMPI14	1	1
	54.48	54.09	47.07
	67	H	H8R	DMPI14	1	1
	54.82	53.12	47.5
	68	H	H8S	DMPI14	1	1
	54.96	54.89	47.66
	69	C	C29	DMPI14	1	1
	54.9	54.09	45.6
	70	H	H9R	DMPI14	1	1
	54.68	55.09	45.15
	71	H	H9S	DMPI14	1	1
	54.31	53.33	45.05
	72	C	C210	DMPI14	1	1
	56.38	53.74	45.45
	73	H	H10R	DMPI14	1	1
	56.53	52.64	45.54
	74	H	H10S	DMPI14	1	1
	56.93	54.23	46.28
	75	C	C211	DMPI14	1	1
	56.96	54.26	44.14
	76	H	H11R	DMPI14	1	1
	58.07	54.31	44.24
	77	H	H11S	DMPI14	1	1
	56.56	55.28	43.98
	78	C	C212	DMPI14	1	1
	56.52	53.59	42.84
	79	H	H12R	DMPI14	1	1
	57	54.17	42.01
	80	H	H12S	DMPI14	1	1
	55.41	53.68	42.71
	81	C	C213	DMPI14	1	1
	56.93	52.16	42.68
	82	H	H13R	DMPI14	1	1
	56.21	51.46	43.16
	83	H	H13S	DMPI14	1	1
	57.93	51.97	43.14
	84	C	C214	DMPI14	1	1
	57	51.85	41.21
	85	H	H14R	DMPI14	1	1
	56.19	52.26	40.58
	86	H	H14S	DMPI14	1	1
	57.99	52.12	40.78
	87	H	H14T	DMPI14	1	1
	56.77	50.78	41.2
	88	C	C33	DMPI14	1	1
	52.09	47.46	50.8
	89	H	H3X	DMPI14	1	1
	51.27	47.61	51.56
	90	H	H3Y	DMPI14	1	1
	51.67	46.8	50.01
	91	C	C34	DMPI14	1	1
	52.61	48.71	50.27
	92	H	H4X	DMPI14	1	1
	52.92	49.32	51.15
	93	H	H4Y	DMPI14	1	1
	51.77	49.19	49.75
	94	C	C35	DMPI14	1	1
	53.83	48.52	49.35
	95	H	H5X	DMPI14	1	1
	53.72	47.65	48.67
	96	H	H5Y	DMPI14	1	1
	54.78	48.35	49.91
	97	C	C36	DMPI14	1	1
	53.97	49.85	48.63
	98	H	H6X	DMPI14	1	1
	54.14	50.59	49.43
	99	H	H6Y	DMPI14	1	1
	53.01	50.08	48.12
	100	C	C37	DMPI14	1	1
	55.2	49.97	47.75
	101	H	H7X	DMPI14	1	1
	56.07	49.59	48.36
	102	H	H7Y	DMPI14	1	1
	55.39	50.99	47.38
	103	C	C38	DMPI14	1	1
	55.13	49.13	46.52
	104	H	H8X	DMPI14	1	1
	55.41	48.21	47.06
	105	H	H8Y	DMPI14	1	1
	55.96	49.29	45.8
	106	C	C39	DMPI14	1	1
	53.76	49.18	45.79
	107	H	H9X	DMPI14	1	1
	53.41	50.22	45.84
	108	H	H9Y	DMPI14	1	1
	53.03	48.48	46.27
	109	C	C310	DMPI14	1	1
	53.71	48.94	44.27
	110	H	H10X	DMPI14	1	1
	53.8	47.91	44.27
	111	H	H10Y	DMPI14	1	1
	54.59	49.25	43.68
	112	C	C311	DMPI14	1	1
	52.34	48.89	43.57
	113	H	H11X	DMPI14	1	1
	52.23	49.92	43.18
	114	H	H11Y	DMPI14	1	1
	51.56	48.59	44.3
	115	C	C312	DMPI14	1	1
	52.18	47.95	42.37
	116	H	H12X	DMPI14	1	1
	51.15	47.71	42.06
	117	H	H12Y	DMPI14	1	1
	52.62	46.97	42.6
	118	C	C313	DMPI14	1	1
	52.81	48.59	41.16
	119	H	H13X	DMPI14	1	1
	52.68	47.83	40.35
	120	H	H13Y	DMPI14	1	1
	53.86	48.86	41.47
	121	C	C314	DMPI14	1	1
	52.25	49.7	40.34
	122	H	H14X	DMPI14	1	1
	52.08	50.59	40.96
	123	H	H14Y	DMPI14	1	1
	53.01	49.9	39.54
	124	H	H14Z	DMPI14	1	1
	51.33	49.29	39.85

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

_cell.entry_id	DMPI14
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

