# --------------------------------------------------------------------------
#
# 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 DMPI33.gro
#
#---------------------------------------------------------------------------

data_DMPI33

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

_entry.id	DMPI33

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

_chemical.entry_id	DMPI33
_chemical.name_common	'DMPI33'

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

_chemical_formula.entry_id	DMPI33
_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	DMPI33	1	1
	36.88	48.44	60.38
	2	H	H2	DMPI33	1	1
	36.38	47.79	59.62
	3	O	O2	DMPI33	1	1
	35.97	49.5	60.69
	4	H	HO2	DMPI33	1	1
	35.3	48.97	61.13
	5	C	C13	DMPI33	1	1
	37.15	47.61	61.63
	6	H	H3	DMPI33	1	1
	37.86	46.78	61.36
	7	O	O3	DMPI33	1	1
	35.91	47.08	62.1
	8	P	P3	DMPI33	1	1
	35.2	45.81	61.37
	9	O	OP32	DMPI33	1	1
	34.94	44.51	62.26
	10	H	HP32	DMPI33	1	1
	35.08	44.64	63.2
	11	O	OP33	DMPI33	1	1
	33.83	46.32	60.96
	12	O	OP34	DMPI33	1	1
	36.07	45.39	60.21
	13	C	C14	DMPI33	1	1
	37.84	48.56	62.65
	14	H	H4	DMPI33	1	1
	37.21	49.45	62.75
	15	O	O4	DMPI33	1	1
	37.86	48.36	64.06
	16	P	P4	DMPI33	1	1
	38.53	47.11	64.63
	17	O	OP42	DMPI33	1	1
	38.3	46.99	66.12
	18	O	OP43	DMPI33	1	1
	39.93	47.12	63.99
	19	O	OP44	DMPI33	1	1
	37.51	46.16	64.05
	20	C	C15	DMPI33	1	1
	39.16	48.99	62.01
	21	H	H5	DMPI33	1	1
	39.55	48.01	61.73
	22	O	O5	DMPI33	1	1
	40.14	49.53	62.86
	23	P	P5	DMPI33	1	1
	39.94	50.78	63.84
	24	O	OP52	DMPI33	1	1
	41.3	50.87	64.5
	25	O	OP53	DMPI33	1	1
	39.67	52.05	63.07
	26	O	OP54	DMPI33	1	1
	38.92	50.7	64.97
	27	C	C16	DMPI33	1	1
	38.94	49.8	60.76
	28	H	H6	DMPI33	1	1
	38.36	50.72	61.02
	29	O	O6	DMPI33	1	1
	40.21	50.2	60.23
	30	H	HO6	DMPI33	1	1
	40.49	49.7	59.47
	31	C	C11	DMPI33	1	1
	38.18	48.93	59.77
	32	H	H1	DMPI33	1	1
	38.84	48.04	59.6
	33	P	P	DMPI33	1	1
	37.99	48.68	57.16
	34	O	O13	DMPI33	1	1
	39.43	48.38	57.04
	35	O	O14	DMPI33	1	1
	37.03	47.57	57.23
	36	O	O11	DMPI33	1	1
	37.49	49.68	56.03
	37	O	O12	DMPI33	1	1
	37.88	49.61	58.53
	38	C	C1	DMPI33	1	1
	37.03	51.01	56.3
	39	H	HA	DMPI33	1	1
	37.73	51.55	57
	40	H	HB	DMPI33	1	1
	36.03	50.94	56.78
	41	C	C2	DMPI33	1	1
	36.95	51.86	55
	42	H	HS	DMPI33	1	1
	36.39	52.8	55.22
	43	O	O21	DMPI33	1	1
	36.3	51.07	53.95
	44	C	C21	DMPI33	1	1
	35.85	51.68	52.87
	45	O	O22	DMPI33	1	1
	35.81	52.89	52.71
	46	C	C22	DMPI33	1	1
	35.28	50.65	51.85
	47	H	H2R	DMPI33	1	1
	34.5	51.16	51.26
	48	H	H2S	DMPI33	1	1
	34.79	49.86	52.46
	49	C	C3	DMPI33	1	1
	38.39	52.31	54.6
	50	H	HX	DMPI33	1	1
	38.84	52.86	55.45
	51	H	HY	DMPI33	1	1
	38.3	53.01	53.73
	52	O	O31	DMPI33	1	1
	39.22	51.17	54.32
	53	C	C31	DMPI33	1	1
	40.15	51.33	53.42
	54	O	O32	DMPI33	1	1
	40.42	52.36	52.82
	55	C	C32	DMPI33	1	1
	40.76	49.97	53.07
	56	H	H2X	DMPI33	1	1
	41.5	49.67	53.83
	57	H	H2Y	DMPI33	1	1
	41.27	50.12	52.1
	58	C	C23	DMPI33	1	1
	36.28	49.93	50.9
	59	H	H3R	DMPI33	1	1
	35.74	49.09	50.4
	60	H	H3S	DMPI33	1	1
	37.06	49.47	51.54
	61	C	C24	DMPI33	1	1
	36.96	50.74	49.78
	62	H	H4R	DMPI33	1	1
	37.73	50.09	49.29
	63	H	H4S	DMPI33	1	1
	37.5	51.6	50.22
	64	C	C25	DMPI33	1	1
	35.99	51.25	48.69
	65	H	H5R	DMPI33	1	1
	35.01	51.44	49.16
	66	H	H5S	DMPI33	1	1
	35.84	50.45	47.93
	67	C	C26	DMPI33	1	1
	36.49	52.52	48
	68	H	H6R	DMPI33	1	1
	36.67	53.33	48.74
	69	H	H6S	DMPI33	1	1
	35.7	52.9	47.31
	70	C	C27	DMPI33	1	1
	37.8	52.27	47.25
	71	H	H7R	DMPI33	1	1
	37.87	51.22	46.9
	72	H	H7S	DMPI33	1	1
	38.69	52.56	47.84
	73	C	C28	DMPI33	1	1
	37.92	53.02	45.98
	74	H	H8R	DMPI33	1	1
	38.22	54.08	46.24
	75	H	H8S	DMPI33	1	1
	36.98	53	45.4
	76	C	C29	DMPI33	1	1
	38.9	52.35	45.07
	77	H	H9R	DMPI33	1	1
	38.59	51.64	44.29
	78	H	H9S	DMPI33	1	1
	39.8	51.94	45.63
	79	C	C210	DMPI33	1	1
	39.2	53.48	44.22
	80	H	H10R	DMPI33	1	1
	39.96	53.64	45
	81	H	H10S	DMPI33	1	1
	38.65	54.45	44.31
	82	C	C211	DMPI33	1	1
	39.52	53.18	42.77
	83	H	H11R	DMPI33	1	1
	40.3	52.5	42.43
	84	H	H11S	DMPI33	1	1
	40.12	53.97	42.38
	85	C	C212	DMPI33	1	1
	38.62	53.94	41.88
	86	H	H12R	DMPI33	1	1
	38.22	54.87	42.35
	87	H	H12S	DMPI33	1	1
	37.79	53.22	41.81
	88	C	C213	DMPI33	1	1
	39.28	54.33	40.55
	89	H	H13R	DMPI33	1	1
	39.81	53.51	40.02
	90	H	H13S	DMPI33	1	1
	39.71	55.34	40.41
	91	C	C214	DMPI33	1	1
	38.11	54.39	39.84
	92	H	H14R	DMPI33	1	1
	37.41	54.94	40.52
	93	H	H14S	DMPI33	1	1
	38.13	54.82	38.82
	94	H	H14T	DMPI33	1	1
	37.71	53.36	39.87
	95	C	C33	DMPI33	1	1
	39.7	48.87	52.86
	96	H	H3X	DMPI33	1	1
	38.94	49.25	52.15
	97	H	H3Y	DMPI33	1	1
	39.18	48.6	53.81
	98	C	C34	DMPI33	1	1
	40.4	47.65	52.27
	99	H	H4X	DMPI33	1	1
	41.12	47.27	53.03
	100	H	H4Y	DMPI33	1	1
	40.94	47.96	51.35
	101	C	C35	DMPI33	1	1
	39.48	46.51	51.88
	102	H	H5X	DMPI33	1	1
	38.97	46.28	52.83
	103	H	H5Y	DMPI33	1	1
	40.12	45.66	51.53
	104	C	C36	DMPI33	1	1
	38.4	46.83	50.86
	105	H	H6X	DMPI33	1	1
	37.79	47.66	51.24
	106	H	H6Y	DMPI33	1	1
	37.6	46.08	50.75
	107	C	C37	DMPI33	1	1
	38.96	46.97	49.45
	108	H	H7X	DMPI33	1	1
	39.57	46.08	49.18
	109	H	H7Y	DMPI33	1	1
	39.65	47.84	49.51
	110	C	C38	DMPI33	1	1
	37.81	47.18	48.46
	111	H	H8X	DMPI33	1	1
	37.26	48.09	48.78
	112	H	H8Y	DMPI33	1	1
	37.08	46.36	48.59
	113	C	C39	DMPI33	1	1
	38.21	47.29	46.97
	114	H	H9X	DMPI33	1	1
	38.54	46.3	46.59
	115	H	H9Y	DMPI33	1	1
	39.1	47.96	46.89
	116	C	C310	DMPI33	1	1
	37.11	47.9	46.06
	117	H	H10X	DMPI33	1	1
	36.87	48.91	46.44
	118	H	H10Y	DMPI33	1	1
	36.17	47.31	46.13
	119	C	C311	DMPI33	1	1
	37.49	48.1	44.58
	120	H	H11X	DMPI33	1	1
	37.36	47.16	44.01
	121	H	H11Y	DMPI33	1	1
	38.56	48.38	44.51
	122	C	C312	DMPI33	1	1
	36.64	49.2	43.9
	123	H	H12X	DMPI33	1	1
	37.21	50.15	43.89
	124	H	H12Y	DMPI33	1	1
	35.72	49.37	44.5
	125	C	C313	DMPI33	1	1
	36.24	48.87	42.45
	126	H	H13X	DMPI33	1	1
	35.55	49.65	42.06
	127	H	H13Y	DMPI33	1	1
	35.7	47.9	42.41
	128	C	C314	DMPI33	1	1
	37.46	48.75	41.54
	129	H	H14X	DMPI33	1	1
	37.18	48.89	40.48
	130	H	H14Y	DMPI33	1	1
	38.23	49.5	41.82
	131	H	H14Z	DMPI33	1	1
	37.9	47.73	41.67

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

_cell.entry_id	DMPI33
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

