# --------------------------------------------------------------------------
#
# 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 DMPI34.gro
#
#---------------------------------------------------------------------------

data_DMPI34

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

_entry.id	DMPI34

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

_chemical.entry_id	DMPI34
_chemical.name_common	'DMPI34'

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

_chemical_formula.entry_id	DMPI34
_chemical_formula.structural	'C37H74O22P4'

###############
## 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	DMPI34	1	1
	48.67	19.77	60.53
	2	H	H2	DMPI34	1	1
	48.43	19.03	59.77
	3	O	O2	DMPI34	1	1
	47.44	20.42	60.9
	4	H	HO2	DMPI34	1	1
	47.64	20.78	61.76
	5	C	C13	DMPI34	1	1
	49.31	19.07	61.69
	6	H	H3	DMPI34	1	1
	50.3	18.67	61.31
	7	O	O3	DMPI34	1	1
	48.38	18.09	62.12
	8	P	P3	DMPI34	1	1
	48.91	16.59	61.9
	9	O	OP32	DMPI34	1	1
	48.85	16.31	60.42
	10	O	OP33	DMPI34	1	1
	50.38	16.59	62.2
	11	O	OP34	DMPI34	1	1
	47.93	15.73	62.69
	12	C	C14	DMPI34	1	1
	49.65	19.99	62.82
	13	H	H4	DMPI34	1	1
	48.68	20.47	63.08
	14	O	O4	DMPI34	1	1
	50.19	19.27	63.94
	15	P	P4	DMPI34	1	1
	49.48	19.39	65.43
	16	O	OP42	DMPI34	1	1
	48.15	18.49	65.34
	17	H	HP42	DMPI34	1	1
	48.37	17.58	65.02
	18	O	OP43	DMPI34	1	1
	48.95	20.8	65.66
	19	O	OP44	DMPI34	1	1
	50.35	18.91	66.6
	20	C	C15	DMPI34	1	1
	50.67	20.97	62.27
	21	H	H5	DMPI34	1	1
	51.6	20.42	62.04
	22	O	O5	DMPI34	1	1
	50.83	21.93	63.31
	23	P	P5	DMPI34	1	1
	52.25	22.56	63.83
	24	O	OP52	DMPI34	1	1
	52.62	23.62	62.82
	25	O	OP53	DMPI34	1	1
	53.26	21.4	63.93
	26	O	OP54	DMPI34	1	1
	51.85	23.22	65.13
	27	C	C16	DMPI34	1	1
	50.13	21.71	61.05
	28	H	H6	DMPI34	1	1
	49.28	22.34	61.37
	29	O	O6	DMPI34	1	1
	51.11	22.57	60.48
	30	H	HO6	DMPI34	1	1
	51.71	22.02	59.95
	31	C	C11	DMPI34	1	1
	49.71	20.72	59.98
	32	H	H1	DMPI34	1	1
	50.59	20.06	59.76
	33	P	P	DMPI34	1	1
	50.1	21.28	57.41
	34	O	O13	DMPI34	1	1
	51.35	22.05	57.56
	35	O	O14	DMPI34	1	1
	50.23	19.92	56.88
	36	O	O11	DMPI34	1	1
	49.14	22.09	56.45
	37	O	O12	DMPI34	1	1
	49.17	21.3	58.77
	38	C	C1	DMPI34	1	1
	47.93	21.51	55.97
	39	H	HA	DMPI34	1	1
	47.25	22.35	55.71
	40	H	HB	DMPI34	1	1
	47.43	20.88	56.74
	41	C	C2	DMPI34	1	1
	48.15	20.64	54.71
	42	H	HS	DMPI34	1	1
	48.7	19.72	55.02
	43	O	O21	DMPI34	1	1
	48.86	21.46	53.8
	44	C	C21	DMPI34	1	1
	49.98	20.97	53.34
	45	O	O22	DMPI34	1	1
	50.39	19.83	53.41
	46	C	C22	DMPI34	1	1
	50.63	22.08	52.54
	47	H	H2R	DMPI34	1	1
	50.93	22.88	53.25
	48	H	H2S	DMPI34	1	1
	49.85	22.5	51.87
	49	C	C3	DMPI34	1	1
	46.81	20.19	54.07
	50	H	HX	DMPI34	1	1
	46.13	21.06	53.94
	51	H	HY	DMPI34	1	1
	46.35	19.51	54.82
	52	O	O31	DMPI34	1	1
	46.98	19.44	52.84
	53	C	C31	DMPI34	1	1
	46.98	20.13	51.7
	54	O	O32	DMPI34	1	1
	47.02	21.34	51.59
	55	C	C32	DMPI34	1	1
	46.76	19.17	50.53
	56	H	H2X	DMPI34	1	1
	45.66	19.12	50.35
	57	H	H2Y	DMPI34	1	1
	47.12	18.16	50.82
	58	C	C23	DMPI34	1	1
	51.85	21.51	51.78
	59	H	H3R	DMPI34	1	1
	52.25	20.56	52.2
	60	H	H3S	DMPI34	1	1
	52.71	22.15	51.99
	61	C	C24	DMPI34	1	1
	51.55	21.16	50.31
	62	H	H4R	DMPI34	1	1
	50.62	20.55	50.26
	63	H	H4S	DMPI34	1	1
	52.41	20.62	49.86
	64	C	C25	DMPI34	1	1
	51.31	22.33	49.4
	65	H	H5R	DMPI34	1	1
	52.32	22.67	49.1
	66	H	H5S	DMPI34	1	1
	50.82	23.11	50.03
	67	C	C26	DMPI34	1	1
	50.48	22.01	48.14
	68	H	H6R	DMPI34	1	1
	49.44	21.78	48.46
	69	H	H6S	DMPI34	1	1
	50.94	21.15	47.61
	70	C	C27	DMPI34	1	1
	50.34	23.13	47.12
	71	H	H7R	DMPI34	1	1
	51.27	23.17	46.53
	72	H	H7S	DMPI34	1	1
	50.1	24.04	47.7
	73	C	C28	DMPI34	1	1
	49.16	23.09	46.16
	74	H	H8R	DMPI34	1	1
	48.27	22.97	46.81
	75	H	H8S	DMPI34	1	1
	49.29	22.26	45.44
	76	C	C29	DMPI34	1	1
	48.98	24.38	45.41
	77	H	H9R	DMPI34	1	1
	49.11	25.21	46.15
	78	H	H9S	DMPI34	1	1
	48.01	24.63	44.97
	79	C	C210	DMPI34	1	1
	49.84	24.52	44.17
	80	H	H10R	DMPI34	1	1
	50.61	25.13	44.65
	81	H	H10S	DMPI34	1	1
	49.24	25.05	43.4
	82	C	C211	DMPI34	1	1
	50.75	23.47	43.53
	83	H	H11R	DMPI34	1	1
	50.12	22.57	43.54
	84	H	H11S	DMPI34	1	1
	51.7	23.4	44.12
	85	C	C212	DMPI34	1	1
	51.16	23.67	42.05
	86	H	H12R	DMPI34	1	1
	50.31	24.15	41.52
	87	H	H12S	DMPI34	1	1
	51.34	22.71	41.55
	88	C	C213	DMPI34	1	1
	52.56	24.27	41.83
	89	H	H13R	DMPI34	1	1
	53.42	23.91	42.39
	90	H	H13S	DMPI34	1	1
	52.44	25.23	42.26
	91	C	C214	DMPI34	1	1
	53.02	24.27	40.4
	92	H	H14R	DMPI34	1	1
	53.68	25.14	40.12
	93	H	H14S	DMPI34	1	1
	53.13	23.37	39.81
	94	H	H14T	DMPI34	1	1
	52.09	24.41	39.86
	95	C	C33	DMPI34	1	1
	47.48	19.68	49.26
	96	H	H3X	DMPI34	1	1
	48.46	20.12	49.54
	97	H	H3Y	DMPI34	1	1
	46.87	20.48	48.8
	98	C	C34	DMPI34	1	1
	47.8	18.59	48.22
	99	H	H4X	DMPI34	1	1
	46.94	17.9	48.13
	100	H	H4Y	DMPI34	1	1
	48.71	18.03	48.55
	101	C	C35	DMPI34	1	1
	48.15	19.19	46.85
	102	H	H5X	DMPI34	1	1
	49.17	19.63	46.92
	103	H	H5Y	DMPI34	1	1
	47.47	20.04	46.61
	104	C	C36	DMPI34	1	1
	48.03	18.19	45.68
	105	H	H6X	DMPI34	1	1
	47.39	18.67	44.91
	106	H	H6Y	DMPI34	1	1
	47.59	17.22	45.98
	107	C	C37	DMPI34	1	1
	49.35	17.96	45.01
	108	H	H7X	DMPI34	1	1
	49.63	18.96	44.6
	109	H	H7Y	DMPI34	1	1
	49.36	17.29	44.11
	110	C	C38	DMPI34	1	1
	50.37	17.49	46.01
	111	H	H8X	DMPI34	1	1
	50.35	16.38	46.21
	112	H	H8Y	DMPI34	1	1
	50.45	18.04	46.96
	113	C	C39	DMPI34	1	1
	51.62	17.83	45.31
	114	H	H9X	DMPI34	1	1
	51.61	17.13	44.45
	115	H	H9Y	DMPI34	1	1
	52.38	17.38	45.87
	116	C	C310	DMPI34	1	1
	51.95	19.34	45.08
	117	H	H10X	DMPI34	1	1
	51.98	19.99	45.97
	118	H	H10Y	DMPI34	1	1
	51.39	19.64	44.16
	119	C	C311	DMPI34	1	1
	53.3	19.45	44.48
	120	H	H11X	DMPI34	1	1
	53.01	18.65	43.8
	121	H	H11Y	DMPI34	1	1
	53.87	18.82	45
	122	C	C312	DMPI34	1	1
	54.25	20.65	44.11
	123	H	H12X	DMPI34	1	1
	55.35	20.42	44.12
	124	H	H12Y	DMPI34	1	1
	54.19	21.31	45
	125	C	C313	DMPI34	1	1
	53.9	21.4	42.76
	126	H	H13X	DMPI34	1	1
	54.3	22.4	42.95
	127	H	H13Y	DMPI34	1	1
	52.8	21.28	42.77
	128	C	C314	DMPI34	1	1
	54.29	21.09	41.27
	129	H	H14X	DMPI34	1	1
	53.83	21.23	40.29
	130	H	H14Y	DMPI34	1	1
	55.38	21.03	41.03
	131	H	H14Z	DMPI34	1	1
	53.71	20.15	41.27

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

_cell.entry_id	DMPI34
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

