# --------------------------------------------------------------------------
#
# 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 DMPI25.gro
#
#---------------------------------------------------------------------------

data_DMPI25

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

_entry.id	DMPI25

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

_chemical.entry_id	DMPI25
_chemical.name_common	'DMPI25'

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

_chemical_formula.entry_id	DMPI25
_chemical_formula.structural	'C37H79O19P3'

###############
## 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	DMPI25	1	1
	18.11	17.32	60.63
	2	H	H2	DMPI25	1	1
	18.88	16.63	60.23
	3	O	O2	DMPI25	1	1
	16.83	16.75	60.33
	4	H	HO2	DMPI25	1	1
	16.87	16.34	59.47
	5	C	C13	DMPI25	1	1
	18.29	17.37	62.14
	6	H	H3	DMPI25	1	1
	19.32	17.73	62.36
	7	O	O3	DMPI25	1	1
	18.17	16.02	62.66
	8	H	HO3	DMPI25	1	1
	19.01	15.62	62.86
	9	C	C14	DMPI25	1	1
	17.31	18.38	62.76
	10	H	H4	DMPI25	1	1
	16.26	18.08	62.53
	11	O	O4	DMPI25	1	1
	17.58	18.45	64.17
	12	P	P4	DMPI25	1	1
	16.44	18.01	65.31
	13	O	OP42	DMPI25	1	1
	15.19	18.8	65.05
	14	O	OP43	DMPI25	1	1
	16.22	16.49	65.16
	15	O	OP44	DMPI25	1	1
	16.96	18.31	66.71
	16	C	C15	DMPI25	1	1
	17.56	19.78	62.16
	17	H	H5	DMPI25	1	1
	18.58	20.12	62.42
	18	O	O5	DMPI25	1	1
	16.58	20.72	62.6
	19	P	P5	DMPI25	1	1
	16.83	21.98	63.62
	20	O	OP52	DMPI25	1	1
	18.13	22.62	62.9
	21	H	HP52	DMPI25	1	1
	18.9	22.1	63.07
	22	O	OP53	DMPI25	1	1
	17.21	21.59	65.02
	23	O	OP54	DMPI25	1	1
	15.65	22.9	63.34
	24	C	C16	DMPI25	1	1
	17.42	19.72	60.64
	25	H	H6	DMPI25	1	1
	16.43	19.36	60.39
	26	O	O6	DMPI25	1	1
	17.65	21.03	60.1
	27	H	HO6	DMPI25	1	1
	18.08	21.48	60.83
	28	C	C11	DMPI25	1	1
	18.35	18.7	60.02
	29	H	H1	DMPI25	1	1
	19.4	19.03	60.25
	30	P	P	DMPI25	1	1
	19.31	18.4	57.56
	31	O	O13	DMPI25	1	1
	20.28	19.48	57.76
	32	O	O14	DMPI25	1	1
	19.78	17.01	57.83
	33	O	O11	DMPI25	1	1
	18.66	18.48	56.13
	34	O	O12	DMPI25	1	1
	18.09	18.66	58.59
	35	C	C1	DMPI25	1	1
	17.32	18.93	55.96
	36	H	HA	DMPI25	1	1
	17.17	19.95	56.39
	37	H	HB	DMPI25	1	1
	16.62	18.21	56.44
	38	C	C2	DMPI25	1	1
	16.99	18.97	54.47
	39	H	HS	DMPI25	1	1
	15.96	19.38	54.33
	40	O	O21	DMPI25	1	1
	17.16	17.66	53.9
	41	C	C21	DMPI25	1	1
	16.08	16.92	53.87
	42	O	O22	DMPI25	1	1
	14.97	17.24	54.26
	43	C	C22	DMPI25	1	1
	16.42	15.58	53.22
	44	H	H2R	DMPI25	1	1
	15.48	15.01	53.11
	45	H	H2S	DMPI25	1	1
	17.1	15.03	53.9
	46	C	C3	DMPI25	1	1
	17.96	19.93	53.74
	47	H	HX	DMPI25	1	1
	19.01	19.63	53.95
	48	H	HY	DMPI25	1	1
	17.79	20.95	54.17
	49	O	O31	DMPI25	1	1
	17.69	19.85	52.34
	50	C	C31	DMPI25	1	1
	18.24	20.82	51.66
	51	O	O32	DMPI25	1	1
	18.85	21.77	52.14
	52	C	C32	DMPI25	1	1
	17.92	20.57	50.18
	53	H	H2X	DMPI25	1	1
	16.86	20.84	49.99
	54	H	H2Y	DMPI25	1	1
	18.14	19.53	49.91
	55	C	C23	DMPI25	1	1
	17.22	15.72	51.91
	56	H	H3R	DMPI25	1	1
	17.36	14.7	51.48
	57	H	H3S	DMPI25	1	1
	18.21	16.17	52.11
	58	C	C24	DMPI25	1	1
	16.6	16.55	50.85
	59	H	H4R	DMPI25	1	1
	17.22	16.65	49.92
	60	H	H4S	DMPI25	1	1
	16.38	17.62	51.22
	61	C	C25	DMPI25	1	1
	15.68	15.07	50.37
	62	H	H5R	DMPI25	1	1
	14.73	15.84	51.19
	63	H	H5S	DMPI25	1	1
	16.03	14.18	50.43
	64	C	C26	DMPI25	1	1
	14.87	17.36	49.29
	65	H	H6R	DMPI25	1	1
	14.52	18.05	50
	66	H	H6S	DMPI25	1	1
	13.77	17.36	49.56
	67	C	C27	DMPI25	1	1
	16.01	18.12	47.87
	68	H	H7R	DMPI25	1	1
	15.66	16.69	47.43
	69	H	H7S	DMPI25	1	1
	16.62	18.96	47.76
	70	C	C28	DMPI25	1	1
	14.59	18.58	46.9
	71	H	H8R	DMPI25	1	1
	14.23	19.57	47.86
	72	H	H8S	DMPI25	1	1
	13.36	18.23	47.04
	73	C	C29	DMPI25	1	1
	14.99	18.82	46.12
	74	H	H9R	DMPI25	1	1
	15.72	19.41	46.65
	75	H	H9S	DMPI25	1	1
	14.4	19.41	45.43
	76	C	C210	DMPI25	1	1
	15.38	17.72	45.21
	77	H	H10R	DMPI25	1	1
	15.46	16.72	45.61
	78	H	H10S	DMPI25	1	1
	16.46	17.83	45.01
	79	C	C211	DMPI25	1	1
	14.36	17.74	44.02
	80	H	H11R	DMPI25	1	1
	13.36	17.47	44.37
	81	H	H11S	DMPI25	1	1
	14.78	16.97	43.36
	82	C	C212	DMPI25	1	1
	13.98	18.99	43.15
	83	H	H12R	DMPI25	1	1
	14.7	19.66	43.4
	84	H	H12S	DMPI25	1	1
	13.58	19.98	43.33
	85	C	C213	DMPI25	1	1
	13.68	18.56	41.71
	86	H	H13R	DMPI25	1	1
	12.69	18.15	41.88
	87	H	H13S	DMPI25	1	1
	14.32	17.7	41.67
	88	C	C214	DMPI25	1	1
	13.98	19.24	40.32
	89	H	H14R	DMPI25	1	1
	13.7	18.73	39.36
	90	H	H14S	DMPI25	1	1
	13.59	20.25	40.17
	91	H	H14T	DMPI25	1	1
	14.77	19.95	40.3
	92	C	C33	DMPI25	1	1
	18.69	21.44	49.24
	93	H	H3X	DMPI25	1	1
	18.34	22.4	49.71
	94	H	H3Y	DMPI25	1	1
	18.28	21.56	48.23
	95	C	C34	DMPI25	1	1
	20.21	21.09	49.18
	96	H	H4X	DMPI25	1	1
	20.77	21.45	50.07
	97	H	H4Y	DMPI25	1	1
	20.77	21.62	48.41
	98	C	C35	DMPI25	1	1
	20.61	19.82	48.5
	99	H	H5X	DMPI25	1	1
	20.37	19.05	49.24
	100	H	H5Y	DMPI25	1	1
	21.72	19.93	48.36
	101	C	C36	DMPI25	1	1
	19.93	19.63	47.13
	102	H	H6X	DMPI25	1	1
	20.37	20.37	46.42
	103	H	H6Y	DMPI25	1	1
	18.89	19.77	47.18
	104	C	C37	DMPI25	1	1
	20.11	18.25	46.49
	105	H	H7X	DMPI25	1	1
	21.17	18.33	46.38
	106	H	H7Y	DMPI25	1	1
	19.78	18.2	45.43
	107	C	C38	DMPI25	1	1
	19.62	17.04	47.3
	108	H	H8X	DMPI25	1	1
	18.51	17.1	47.24
	109	H	H8Y	DMPI25	1	1
	19.95	17.11	48.36
	110	C	C39	DMPI25	1	1
	20.04	15.64	46.81
	111	H	H9X	DMPI25	1	1
	19.45	14.84	47.32
	112	H	H9Y	DMPI25	1	1
	21.09	15.42	47.09
	113	C	C310	DMPI25	1	1
	19.97	15.45	45.3
	114	H	H10X	DMPI25	1	1
	20.45	14.47	45.16
	115	H	H10Y	DMPI25	1	1
	20.62	16.15	44.75
	116	C	C311	DMPI25	1	1
	18.53	15.49	44.79
	117	H	H11X	DMPI25	1	1
	18.11	16.51	44.93
	118	H	H11Y	DMPI25	1	1
	17.91	14.77	45.37
	119	C	C312	DMPI25	1	1
	18.32	15.3	43.3
	120	H	H12X	DMPI25	1	1
	19.06	14.55	42.94
	121	H	H12Y	DMPI25	1	1
	18.47	16.16	42.63
	122	C	C313	DMPI25	1	1
	16.88	14.96	43.03
	123	H	H13X	DMPI25	1	1
	16.09	15.63	43.35
	124	H	H13Y	DMPI25	1	1
	16.67	14.13	43.76
	125	C	C314	DMPI25	1	1
	16.77	14.67	41.53
	126	H	H14X	DMPI25	1	1
	15.85	14.14	41.22
	127	H	H14Y	DMPI25	1	1
	17.06	15.25	40.66
	128	H	H14Z	DMPI25	1	1
	17.68	14.06	41.45

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

_cell.entry_id	DMPI25
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

