# --------------------------------------------------------------------------
#
# 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 DMPI2D.gro
#
#---------------------------------------------------------------------------

data_DMPI2D

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

_entry.id	DMPI2D

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

_chemical.entry_id	DMPI2D
_chemical.name_common	'DMPI2D'

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

_chemical_formula.entry_id	DMPI2D
_chemical_formula.structural	'C37H73O19P3'

###############
## 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	DMPI2D	1	1
	63.86	24.35	60.87
	2	H	H2	DMPI2D	1	1
	63.16	25.12	60.49
	3	O	O2	DMPI2D	1	1
	65.16	24.93	61
	4	H	HO2	DMPI2D	1	1
	65.29	25.57	60.3
	5	C	C13	DMPI2D	1	1
	63.33	23.89	62.24
	6	H	H3	DMPI2D	1	1
	62.69	23.14	61.76
	7	O	O3	DMPI2D	1	1
	62.28	24.58	62.99
	8	P	P3	DMPI2D	1	1
	60.73	23.83	63.09
	9	O	OP32	DMPI2D	1	1
	59.73	24.94	63.45
	10	O	OP33	DMPI2D	1	1
	60.46	23.35	61.67
	11	O	OP34	DMPI2D	1	1
	60.69	22.74	64.15
	12	C	C14	DMPI2D	1	1
	64.23	22.83	62.86
	13	H	H4	DMPI2D	1	1
	65.31	23.14	62.78
	14	O	O4	DMPI2D	1	1
	63.88	22.51	64.2
	15	P	P4	DMPI2D	1	1
	64.47	23.41	65.41
	16	O	OP42	DMPI2D	1	1
	65.42	24.56	64.78
	17	H	HP42	DMPI2D	1	1
	66.31	24.29	65.04
	18	O	OP43	DMPI2D	1	1
	65.45	22.56	66.18
	19	O	OP44	DMPI2D	1	1
	63.39	24.06	66.26
	20	C	C15	DMPI2D	1	1
	64.14	21.64	61.97
	21	H	H5	DMPI2D	1	1
	63.1	21.22	61.91
	22	O	O5	DMPI2D	1	1
	64.95	20.68	62.61
	23	H	HO5	DMPI2D	1	1
	65.55	20.45	61.91
	24	C	C16	DMPI2D	1	1
	64.6	22.05	60.54
	25	H	H6	DMPI2D	1	1
	65.69	22.27	60.54
	26	O	O6	DMPI2D	1	1
	64.29	21.01	59.67
	27	H	HO6	DMPI2D	1	1
	65.14	20.82	59.23
	28	C	C11	DMPI2D	1	1
	63.8	23.16	59.92
	29	H	H1	DMPI2D	1	1
	62.74	22.75	59.9
	30	P	P	DMPI2D	1	1
	63.08	23.45	57.38
	31	O	O13	DMPI2D	1	1
	62.67	22.05	57.14
	32	O	O14	DMPI2D	1	1
	62.06	24.5	57.62
	33	O	O11	DMPI2D	1	1
	63.96	23.89	56.16
	34	O	O12	DMPI2D	1	1
	64.22	23.53	58.59
	35	C	C1	DMPI2D	1	1
	64.2	25.27	55.87
	36	H	HA	DMPI2D	1	1
	65.13	25.33	55.28
	37	H	HB	DMPI2D	1	1
	64.37	25.88	56.79
	38	C	C2	DMPI2D	1	1
	63.1	25.88	54.95
	39	H	HS	DMPI2D	1	1
	62.22	26.13	55.58
	40	O	O21	DMPI2D	1	1
	62.75	24.89	53.97
	41	C	C21	DMPI2D	1	1
	61.67	25.07	53.26
	42	O	O22	DMPI2D	1	1
	60.87	25.99	53.36
	43	C	C22	DMPI2D	1	1
	61.67	24.02	52.15
	44	H	H2R	DMPI2D	1	1
	60.81	24.22	51.48
	45	H	H2S	DMPI2D	1	1
	61.54	23.01	52.59
	46	C	C3	DMPI2D	1	1
	63.61	27.17	54.28
	47	H	HX	DMPI2D	1	1
	63.83	27.89	55.09
	48	H	HY	DMPI2D	1	1
	62.77	27.66	53.74
	49	O	O31	DMPI2D	1	1
	64.8	26.94	53.48
	50	C	C31	DMPI2D	1	1
	64.67	27.23	52.19
	51	O	O32	DMPI2D	1	1
	63.71	27.77	51.67
	52	C	C32	DMPI2D	1	1
	65.9	26.74	51.44
	53	H	H2X	DMPI2D	1	1
	65.67	25.69	51.17
	54	H	H2Y	DMPI2D	1	1
	66.79	26.74	52.1
	55	C	C23	DMPI2D	1	1
	62.99	24.14	51.37
	56	H	H3R	DMPI2D	1	1
	63.87	24	52.04
	57	H	H3S	DMPI2D	1	1
	63.04	25.18	50.97
	58	C	C24	DMPI2D	1	1
	63.11	23.15	50.21
	59	H	H4R	DMPI2D	1	1
	62.11	23.05	49.73
	60	H	H4S	DMPI2D	1	1
	63.41	22.16	50.6
	61	C	C25	DMPI2D	1	1
	64.15	23.6	49.17
	62	H	H5R	DMPI2D	1	1
	65.09	23.87	49.71
	63	H	H5S	DMPI2D	1	1
	63.79	24.52	48.67
	64	C	C26	DMPI2D	1	1
	64.44	22.51	48.13
	65	H	H6R	DMPI2D	1	1
	63.65	21.73	48.16
	66	H	H6S	DMPI2D	1	1
	65.38	21.99	48.45
	67	C	C27	DMPI2D	1	1
	64.59	23.04	46.69
	68	H	H7R	DMPI2D	1	1
	65.1	22.27	46.13
	69	H	H7S	DMPI2D	1	1
	65.27	23.91	46.69
	70	C	C28	DMPI2D	1	1
	63.29	23.32	45.89
	71	H	H8R	DMPI2D	1	1
	62.77	24.17	46.36
	72	H	H8S	DMPI2D	1	1
	62.61	22.44	45.94
	73	C	C29	DMPI2D	1	1
	63.53	23.7	44.41
	74	H	H9R	DMPI2D	1	1
	63.73	22.8	43.78
	75	H	H9S	DMPI2D	1	1
	64.47	24.31	44.37
	76	C	C210	DMPI2D	1	1
	62.4	24.57	43.8
	77	H	H10R	DMPI2D	1	1
	62.85	25.28	43.07
	78	H	H10S	DMPI2D	1	1
	61.95	25.19	44.61
	79	C	C211	DMPI2D	1	1
	61.26	23.8	43.11
	80	H	H11R	DMPI2D	1	1
	60.53	24.54	42.72
	81	H	H11S	DMPI2D	1	1
	60.77	23.22	43.92
	82	C	C212	DMPI2D	1	1
	61.73	22.85	42
	83	H	H12R	DMPI2D	1	1
	62.3	22.04	42.51
	84	H	H12S	DMPI2D	1	1
	62.42	23.37	41.3
	85	C	C213	DMPI2D	1	1
	60.69	22.05	41.19
	86	H	H13R	DMPI2D	1	1
	60	21.54	41.88
	87	H	H13S	DMPI2D	1	1
	61.29	21.3	40.64
	88	C	C214	DMPI2D	1	1
	59.89	22.75	40.11
	89	H	H14R	DMPI2D	1	1
	59.67	23.75	40.52
	90	H	H14S	DMPI2D	1	1
	60.46	22.86	39.16
	91	H	H14T	DMPI2D	1	1
	58.94	22.23	39.87
	92	C	C33	DMPI2D	1	1
	66.13	27.56	50.15
	93	H	H3X	DMPI2D	1	1
	66.65	28.51	50.4
	94	H	H3Y	DMPI2D	1	1
	65.15	27.84	49.68
	95	C	C34	DMPI2D	1	1
	66.89	26.7	49.12
	96	H	H4X	DMPI2D	1	1
	66.39	25.71	49.06
	97	H	H4Y	DMPI2D	1	1
	67.91	26.55	49.54
	98	C	C35	DMPI2D	1	1
	67.04	27.27	47.7
	99	H	H5X	DMPI2D	1	1
	67.68	26.59	47.1
	100	H	H5Y	DMPI2D	1	1
	67.63	28.16	47.91
	101	C	C36	DMPI2D	1	1
	65.78	27.57	46.84
	102	H	H6X	DMPI2D	1	1
	65.07	28.21	47.4
	103	H	H6Y	DMPI2D	1	1
	65.29	26.59	46.65
	104	C	C37	DMPI2D	1	1
	66.01	28.21	45.43
	105	H	H7X	DMPI2D	1	1
	66.82	27.7	44.87
	106	H	H7Y	DMPI2D	1	1
	66.27	29.27	45.53
	107	C	C38	DMPI2D	1	1
	64.73	28.2	44.58
	108	H	H8X	DMPI2D	1	1
	63.94	28.66	45.22
	109	H	H8Y	DMPI2D	1	1
	64.48	27.13	44.4
	110	C	C39	DMPI2D	1	1
	64.75	28.92	43.22
	111	H	H9X	DMPI2D	1	1
	65.43	28.38	42.52
	112	H	H9Y	DMPI2D	1	1
	65.17	29.95	43.34
	113	C	C310	DMPI2D	1	1
	63.34	29.04	42.61
	114	H	H10X	DMPI2D	1	1
	63.35	29.91	41.92
	115	H	H10Y	DMPI2D	1	1
	62.59	29.27	43.4
	116	C	C311	DMPI2D	1	1
	62.92	27.83	41.77
	117	H	H11X	DMPI2D	1	1
	62.33	27.11	42.37
	118	H	H11Y	DMPI2D	1	1
	63.83	27.33	41.39
	119	C	C312	DMPI2D	1	1
	62.15	28.18	40.52
	120	H	H12X	DMPI2D	1	1
	62.58	29.02	39.95
	121	H	H12Y	DMPI2D	1	1
	61.11	28.47	40.81
	122	C	C313	DMPI2D	1	1
	62.28	27.05	39.53
	123	H	H13X	DMPI2D	1	1
	61.83	26.14	39.97
	124	H	H13Y	DMPI2D	1	1
	63.27	26.66	39.31
	125	C	C314	DMPI2D	1	1
	61.77	27.46	38.19
	126	H	H14X	DMPI2D	1	1
	60.7	27.73	38.24
	127	H	H14Y	DMPI2D	1	1
	62.11	28.36	37.69
	128	H	H14Z	DMPI2D	1	1
	61.85	26.59	37.5

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

_cell.entry_id	DMPI2D
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

