# --------------------------------------------------------------------------
#
# 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 DMPI15.gro
#
#---------------------------------------------------------------------------

data_DMPI15

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

_entry.id	DMPI15

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

_chemical.entry_id	DMPI15
_chemical.name_common	'DMPI15'

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

_chemical_formula.entry_id	DMPI15
_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	DMPI15	1	1
	52.1	44.16	59.91
	2	H	H2	DMPI15	1	1
	51.45	43.41	59.4
	3	O	O2	DMPI15	1	1
	51.82	45.44	59.35
	4	H	HO2	DMPI15	1	1
	50.91	45.39	59.01
	5	C	C13	DMPI15	1	1
	51.79	44.1	61.4
	6	H	H3	DMPI15	1	1
	52.04	43.08	61.76
	7	O	O3	DMPI15	1	1
	50.4	44.23	61.59
	8	H	HO3	DMPI15	1	1
	49.98	43.46	62.01
	9	C	C14	DMPI15	1	1
	52.63	45.09	62.2
	10	H	H4	DMPI15	1	1
	52.46	46.12	61.82
	11	O	O4	DMPI15	1	1
	52.25	45.14	63.58
	12	H	HO4	DMPI15	1	1
	52.66	44.38	64.01
	13	C	C15	DMPI15	1	1
	54.11	44.7	61.98
	14	H	H5	DMPI15	1	1
	54.18	43.65	62.37
	15	O	O5	DMPI15	1	1
	54.98	45.53	62.73
	16	P	P5	DMPI15	1	1
	55.75	45.19	64.18
	17	O	OP52	DMPI15	1	1
	57	45.97	63.93
	18	O	OP53	DMPI15	1	1
	56.16	43.74	64.34
	19	O	OP54	DMPI15	1	1
	54.78	45.54	65.26
	20	C	C16	DMPI15	1	1
	54.39	44.81	60.39
	21	H	H6	DMPI15	1	1
	54.1	45.83	60.15
	22	O	O6	DMPI15	1	1
	55.7	44.86	59.78
	23	H	HO6	DMPI15	1	1
	56.31	44.32	60.32
	24	C	C11	DMPI15	1	1
	53.54	43.79	59.67
	25	H	H1	DMPI15	1	1
	53.75	42.78	60.14
	26	P	P	DMPI15	1	1
	53.57	42.43	57.4
	27	O	O13	DMPI15	1	1
	54.29	41.29	58.01
	28	O	O14	DMPI15	1	1
	52.1	42.3	57.28
	29	O	O11	DMPI15	1	1
	54.19	42.82	56
	30	O	O12	DMPI15	1	1
	53.85	43.78	58.27
	31	C	C1	DMPI15	1	1
	55.6	42.77	55.72
	32	H	HA	DMPI15	1	1
	55.74	41.9	55.04
	33	H	HB	DMPI15	1	1
	56.19	42.58	56.63
	34	C	C2	DMPI15	1	1
	56.24	44.02	55
	35	H	HS	DMPI15	1	1
	56.51	44.79	55.75
	36	O	O21	DMPI15	1	1
	55.3	44.56	54.13
	37	C	C21	DMPI15	1	1
	54.31	45.14	54.79
	38	O	O22	DMPI15	1	1
	54.37	45.67	55.88
	39	C	C22	DMPI15	1	1
	53.16	45.14	53.83
	40	H	H2R	DMPI15	1	1
	53.81	45.41	53
	41	H	H2S	DMPI15	1	1
	52.33	45.86	53.99
	42	C	C3	DMPI15	1	1
	57.54	43.75	54.17
	43	H	HX	DMPI15	1	1
	58.36	43.42	54.82
	44	H	HY	DMPI15	1	1
	57.87	44.73	53.75
	45	O	O31	DMPI15	1	1
	57.33	42.76	53.15
	46	C	C31	DMPI15	1	1
	56.74	43.21	52.06
	47	O	O32	DMPI15	1	1
	56.64	44.37	51.72
	48	C	C32	DMPI15	1	1
	56.1	42.02	51.33
	49	H	H2X	DMPI15	1	1
	55.15	41.84	51.87
	50	H	H2Y	DMPI15	1	1
	56.71	41.11	51.47
	51	C	C23	DMPI15	1	1
	52.77	43.98	52.98
	52	H	H3R	DMPI15	1	1
	52.49	43.26	53.76
	53	H	H3S	DMPI15	1	1
	53.59	43.65	52.28
	54	C	C24	DMPI15	1	1
	51.63	44.25	52.07
	55	H	H4R	DMPI15	1	1
	51.75	44.77	51.09
	56	H	H4S	DMPI15	1	1
	50.83	44.82	52.6
	57	C	C25	DMPI15	1	1
	51.42	42.85	51.62
	58	H	H5R	DMPI15	1	1
	50.5	43.04	51.3
	59	H	H5S	DMPI15	1	1
	51.13	42.17	52.42
	60	C	C26	DMPI15	1	1
	51.98	42.43	50.26
	61	H	H6R	DMPI15	1	1
	52.91	41.95	50.6
	62	H	H6S	DMPI15	1	1
	52.2	43.33	49.63
	63	C	C27	DMPI15	1	1
	51.13	41.44	49.41
	64	H	H7R	DMPI15	1	1
	50.15	41.8	49.04
	65	H	H7S	DMPI15	1	1
	50.87	40.59	50.08
	66	C	C28	DMPI15	1	1
	51.89	40.98	48.16
	67	H	H8R	DMPI15	1	1
	51.41	40.12	47.65
	68	H	H8S	DMPI15	1	1
	52.85	40.6	48.57
	69	C	C29	DMPI15	1	1
	52.2	42.1	47.15
	70	H	H9R	DMPI15	1	1
	53.05	41.77	46.51
	71	H	H9S	DMPI15	1	1
	52.51	43.05	47.64
	72	C	C210	DMPI15	1	1
	51.07	42.46	46.19
	73	H	H10R	DMPI15	1	1
	50.17	42.79	46.77
	74	H	H10S	DMPI15	1	1
	50.82	41.54	45.6
	75	C	C211	DMPI15	1	1
	51.47	43.56	45.22
	76	H	H11R	DMPI15	1	1
	52.47	43.36	44.77
	77	H	H11S	DMPI15	1	1
	51.51	44.55	45.74
	78	C	C212	DMPI15	1	1
	50.51	43.7	44.05
	79	H	H12R	DMPI15	1	1
	50.9	44.65	43.61
	80	H	H12S	DMPI15	1	1
	49.49	43.9	44.46
	81	C	C213	DMPI15	1	1
	50.53	42.51	43
	82	H	H13R	DMPI15	1	1
	49.94	41.68	43.46
	83	H	H13S	DMPI15	1	1
	51.6	42.32	42.87
	84	C	C214	DMPI15	1	1
	50.16	42.63	41.48
	85	H	H14R	DMPI15	1	1
	49.73	42.06	40.68
	86	H	H14S	DMPI15	1	1
	49.09	42.6	41.75
	87	H	H14T	DMPI15	1	1
	50.45	43.58	41
	88	C	C33	DMPI15	1	1
	55.75	42.31	49.86
	89	H	H3X	DMPI15	1	1
	55.86	43.39	49.64
	90	H	H3Y	DMPI15	1	1
	54.68	42.05	49.68
	91	C	C34	DMPI15	1	1
	56.57	41.48	48.87
	92	H	H4X	DMPI15	1	1
	56.28	40.41	48.95
	93	H	H4Y	DMPI15	1	1
	57.64	41.56	49.18
	94	C	C35	DMPI15	1	1
	56.48	41.93	47.4
	95	H	H5X	DMPI15	1	1
	55.48	41.75	46.96
	96	H	H5Y	DMPI15	1	1
	57.24	41.32	46.85
	97	C	C36	DMPI15	1	1
	56.81	43.4	47.17
	98	H	H6X	DMPI15	1	1
	57.44	43.54	46.26
	99	H	H6Y	DMPI15	1	1
	57.32	43.74	48.07
	100	C	C37	DMPI15	1	1
	55.6	44.27	46.92
	101	H	H7X	DMPI15	1	1
	54.84	44.24	47.73
	102	H	H7Y	DMPI15	1	1
	55.17	43.82	46
	103	C	C38	DMPI15	1	1
	55.95	45.68	46.56
	104	H	H8X	DMPI15	1	1
	56.85	45.8	45.92
	105	H	H8Y	DMPI15	1	1
	56.18	46.32	47.41
	106	C	C39	DMPI15	1	1
	54.75	46.33	45.96
	107	H	H9X	DMPI15	1	1
	55.27	47.18	45.46
	108	H	H9Y	DMPI15	1	1
	54.03	46.67	46.76
	109	C	C310	DMPI15	1	1
	54.13	45.78	44.73
	110	H	H10X	DMPI15	1	1
	53.1	46.22	44.7
	111	H	H10Y	DMPI15	1	1
	53.98	44.71	44.83
	112	C	C311	DMPI15	1	1
	55	46.14	43.49
	113	H	H11X	DMPI15	1	1
	56.08	46.04	43.72
	114	H	H11Y	DMPI15	1	1
	55.02	47.19	43.14
	115	C	C312	DMPI15	1	1
	54.53	45.3	42.33
	116	H	H12X	DMPI15	1	1
	53.43	45.3	42.24
	117	H	H12Y	DMPI15	1	1
	54.76	44.25	42.6
	118	C	C313	DMPI15	1	1
	55.25	45.64	41.02
	119	H	H13X	DMPI15	1	1
	54.76	44.99	40.25
	120	H	H13Y	DMPI15	1	1
	56.32	45.42	41.15
	121	C	C314	DMPI15	1	1
	55.23	47.08	40.58
	122	H	H14X	DMPI15	1	1
	55.59	47.88	41.25
	123	H	H14Y	DMPI15	1	1
	55.25	47.44	39.56
	124	H	H14Z	DMPI15	1	1
	54.2	47.06	40.43

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

_cell.entry_id	DMPI15
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

