# --------------------------------------------------------------------------
#
# 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 DMPI2B.gro
#
#---------------------------------------------------------------------------

data_DMPI2B

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

_entry.id	DMPI2B

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

_chemical.entry_id	DMPI2B
_chemical.name_common	'DMPI2B'

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

_chemical_formula.entry_id	DMPI2B
_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	DMPI2B	1	1
	22.58	53.26	60.27
	2	H	H2	DMPI2B	1	1
	23.22	52.55	59.66
	3	O	O2	DMPI2B	1	1
	21.36	52.62	60.35
	4	H	HO2	DMPI2B	1	1
	21.08	53.12	61.09
	5	C	C13	DMPI2B	1	1
	23.28	53.49	61.63
	6	H	H3	DMPI2B	1	1
	24.1	54.07	61.51
	7	O	O3	DMPI2B	1	1
	23.96	52.39	62.26
	8	P	P3	DMPI2B	1	1
	23.4	51.16	63.16
	9	O	OP32	DMPI2B	1	1
	22.56	50.35	62.19
	10	O	OP33	DMPI2B	1	1
	24.63	50.44	63.69
	11	O	OP34	DMPI2B	1	1
	22.61	51.83	64.28
	12	C	C14	DMPI2B	1	1
	22.57	54.63	62.39
	13	H	H4	DMPI2B	1	1
	21.54	54.33	62.48
	14	O	O4	DMPI2B	1	1
	23.19	54.78	63.66
	15	H	HO4	DMPI2B	1	1
	22.75	54.13	64.17
	16	C	C15	DMPI2B	1	1
	22.65	55.99	61.62
	17	H	H5	DMPI2B	1	1
	23.62	56.33	61.33
	18	O	O5	DMPI2B	1	1
	22.34	57.1	62.47
	19	P	P5	DMPI2B	1	1
	23.44	58.01	63.38
	20	O	OP52	DMPI2B	1	1
	24.92	58.14	62.97
	21	H	HP52	DMPI2B	1	1
	25.55	58	63.71
	22	O	OP53	DMPI2B	1	1
	23.47	57.61	64.86
	23	O	OP54	DMPI2B	1	1
	23.02	59.42	63.06
	24	C	C16	DMPI2B	1	1
	21.88	55.78	60.25
	25	H	H6	DMPI2B	1	1
	20.85	55.46	60.3
	26	O	O6	DMPI2B	1	1
	22.04	56.95	59.41
	27	H	HO6	DMPI2B	1	1
	21.26	57.48	59.53
	28	C	C11	DMPI2B	1	1
	22.53	54.59	59.55
	29	H	H1	DMPI2B	1	1
	23.44	55.1	59.79
	30	P	P	DMPI2B	1	1
	22.6	54.01	56.88
	31	O	O13	DMPI2B	1	1
	23.04	55.32	56.71
	32	O	O14	DMPI2B	1	1
	23.18	52.71	57.18
	33	O	O11	DMPI2B	1	1
	21.95	53.88	55.55
	34	O	O12	DMPI2B	1	1
	21.89	54.41	58.25
	35	C	C1	DMPI2B	1	1
	20.8	53.27	55.92
	36	H	HA	DMPI2B	1	1
	20.54	52.98	57.02
	37	H	HB	DMPI2B	1	1
	20.82	52.31	55.4
	38	C	C2	DMPI2B	1	1
	19.81	54.31	55.52
	39	H	HS	DMPI2B	1	1
	18.9	53.83	55.63
	40	O	O21	DMPI2B	1	1
	20.03	54.75	54.17
	41	C	C21	DMPI2B	1	1
	19.84	53.87	53.23
	42	O	O22	DMPI2B	1	1
	19.49	52.7	53.36
	43	C	C22	DMPI2B	1	1
	20.01	54.56	51.88
	44	H	H2R	DMPI2B	1	1
	21.04	54.37	51.55
	45	H	H2S	DMPI2B	1	1
	19.86	55.65	52.01
	46	C	C3	DMPI2B	1	1
	19.75	55.54	56.5
	47	H	HX	DMPI2B	1	1
	19.76	55.14	57.54
	48	H	HY	DMPI2B	1	1
	18.79	56.06	56.36
	49	O	O31	DMPI2B	1	1
	20.83	56.45	56.39
	50	C	C31	DMPI2B	1	1
	20.8	57.13	55.3
	51	O	O32	DMPI2B	1	1
	19.83	57.36	54.6
	52	C	C32	DMPI2B	1	1
	22.06	57.84	55.11
	53	H	H2X	DMPI2B	1	1
	22.87	57.7	55.85
	54	H	H2Y	DMPI2B	1	1
	21.56	58.79	55.39
	55	C	C23	DMPI2B	1	1
	19	54.03	50.84
	56	H	H3R	DMPI2B	1	1
	18.06	54.37	51.21
	57	H	H3S	DMPI2B	1	1
	18.93	52.92	50.83
	58	C	C24	DMPI2B	1	1
	19.14	54.54	49.42
	59	H	H4R	DMPI2B	1	1
	18.91	55.63	49.33
	60	H	H4S	DMPI2B	1	1
	18.46	53.99	48.72
	61	C	C25	DMPI2B	1	1
	20.53	54.31	48.93
	62	H	H5R	DMPI2B	1	1
	21.22	55.07	49.4
	63	H	H5S	DMPI2B	1	1
	20.47	54.6	47.85
	64	C	C26	DMPI2B	1	1
	21.11	52.86	49.23
	65	H	H6R	DMPI2B	1	1
	20.29	52.15	49.12
	66	H	H6S	DMPI2B	1	1
	21.6	52.9	50.22
	67	C	C27	DMPI2B	1	1
	22.04	51.98	48.34
	68	H	H7R	DMPI2B	1	1
	23.02	51.49	48.53
	69	H	H7S	DMPI2B	1	1
	22.88	52.5	48.51
	70	C	C28	DMPI2B	1	1
	21.83	52.23	46.91
	71	H	H8R	DMPI2B	1	1
	22.88	52.38	46.64
	72	H	H8S	DMPI2B	1	1
	21.22	53.11	46.63
	73	C	C29	DMPI2B	1	1
	20.95	51.26	46.49
	74	H	H9R	DMPI2B	1	1
	19.99	51.56	46.99
	75	H	H9S	DMPI2B	1	1
	21.45	50.36	46.89
	76	C	C210	DMPI2B	1	1
	20.79	51.21	45.06
	77	H	H10R	DMPI2B	1	1
	20.34	50.21	45.22
	78	H	H10S	DMPI2B	1	1
	21.67	51.09	44.42
	79	C	C211	DMPI2B	1	1
	19.85	52.16	44.42
	80	H	H11R	DMPI2B	1	1
	20.37	53.05	44.04
	81	H	H11S	DMPI2B	1	1
	19.04	52.48	45.1
	82	C	C212	DMPI2B	1	1
	19.4	51.47	43.19
	83	H	H12R	DMPI2B	1	1
	18.84	50.47	43.34
	84	H	H12S	DMPI2B	1	1
	20.15	51.38	42.45
	85	C	C213	DMPI2B	1	1
	18.88	52.3	42.26
	86	H	H13R	DMPI2B	1	1
	18.56	51.98	41.25
	87	H	H13S	DMPI2B	1	1
	19.17	53.32	42.49
	88	C	C214	DMPI2B	1	1
	17.86	52.27	42.89
	89	H	H14R	DMPI2B	1	1
	17.52	51.39	43.5
	90	H	H14S	DMPI2B	1	1
	17.12	52.94	42.87
	91	H	H14T	DMPI2B	1	1
	17.13	52.52	42.07
	92	C	C33	DMPI2B	1	1
	22.5	57.89	53.62
	93	H	H3X	DMPI2B	1	1
	23.36	58.57	53.36
	94	H	H3Y	DMPI2B	1	1
	21.69	58.26	52.98
	95	C	C34	DMPI2B	1	1
	23.04	56.57	53.22
	96	H	H4X	DMPI2B	1	1
	22.47	55.76	53.69
	97	H	H4Y	DMPI2B	1	1
	24.03	56.59	53.68
	98	C	C35	DMPI2B	1	1
	23.14	56.42	51.72
	99	H	H5X	DMPI2B	1	1
	22.16	56.53	51.25
	100	H	H5Y	DMPI2B	1	1
	23.52	55.38	51.61
	101	C	C36	DMPI2B	1	1
	24.04	57.52	51.13
	102	H	H6X	DMPI2B	1	1
	24.88	57.27	51.68
	103	H	H6Y	DMPI2B	1	1
	23.85	58.55	51.4
	104	C	C37	DMPI2B	1	1
	24.4	57.58	49.68
	105	H	H7X	DMPI2B	1	1
	25.2	56.91	49.65
	106	H	H7Y	DMPI2B	1	1
	25.21	58.21	49.31
	107	C	C38	DMPI2B	1	1
	23.21	57.59	48.77
	108	H	H8X	DMPI2B	1	1
	22.78	58.55	49.08
	109	H	H8Y	DMPI2B	1	1
	22.46	56.78	48.96
	110	C	C39	DMPI2B	1	1
	23.59	57.76	47.32
	111	H	H9X	DMPI2B	1	1
	24.15	56.92	47.02
	112	H	H9Y	DMPI2B	1	1
	24.47	58.4	47.24
	113	C	C310	DMPI2B	1	1
	22.44	58.22	46.38
	114	H	H10X	DMPI2B	1	1
	22.92	58.61	45.46
	115	H	H10Y	DMPI2B	1	1
	21.89	58.98	46.94
	116	C	C311	DMPI2B	1	1
	21.31	57.3	45.93
	117	H	H11X	DMPI2B	1	1
	20.74	56.79	46.75
	118	H	H11Y	DMPI2B	1	1
	21.86	56.6	45.31
	119	C	C312	DMPI2B	1	1
	20.46	57.66	44.8
	120	H	H12X	DMPI2B	1	1
	21.11	58.12	44.03
	121	H	H12Y	DMPI2B	1	1
	19.66	58.29	45.21
	122	C	C313	DMPI2B	1	1
	19.91	56.46	44.15
	123	H	H13X	DMPI2B	1	1
	19.33	55.99	44.98
	124	H	H13Y	DMPI2B	1	1
	20.58	55.63	43.84
	125	C	C314	DMPI2B	1	1
	19.18	56.94	42.91
	126	H	H14X	DMPI2B	1	1
	19.69	57.34	42.06
	127	H	H14Y	DMPI2B	1	1
	19.03	56.06	42.29
	128	H	H14Z	DMPI2B	1	1
	18.16	57.33	43.16

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

_cell.entry_id	DMPI2B
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

