# --------------------------------------------------------------------------
#
# 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 DMPI24.gro
#
#---------------------------------------------------------------------------

data_DMPI24

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

_entry.id	DMPI24

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

_chemical.entry_id	DMPI24
_chemical.name_common	'DMPI24'

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

_chemical_formula.entry_id	DMPI24
_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	DMPI24	1	1
	7.74	41.97	59.87
	2	H	H2	DMPI24	1	1
	8.2	42.59	59.06
	3	O	O2	DMPI24	1	1
	8.7	40.98	60.27
	4	H	HO2	DMPI24	1	1
	9.55	41.27	59.95
	5	C	C13	DMPI24	1	1
	7.44	42.89	61.05
	6	H	H3	DMPI24	1	1
	6.78	43.73	60.71
	7	O	O3	DMPI24	1	1
	8.69	43.45	61.5
	8	H	HO3	DMPI24	1	1
	8.69	44.39	61.33
	9	C	C14	DMPI24	1	1
	6.69	42.1	62.13
	10	H	H4	DMPI24	1	1
	7.34	41.24	62.43
	11	O	O4	DMPI24	1	1
	6.37	42.96	63.23
	12	P	P4	DMPI24	1	1
	6.83	42.63	64.76
	13	O	OP42	DMPI24	1	1
	6.4	41.14	65.17
	14	H	HP42	DMPI24	1	1
	6.51	40.56	64.41
	15	O	OP43	DMPI24	1	1
	8.35	42.69	64.75
	16	O	OP44	DMPI24	1	1
	6.12	43.6	65.72
	17	C	C15	DMPI24	1	1
	5.39	41.49	61.54
	18	H	H5	DMPI24	1	1
	4.73	42.32	61.19
	19	O	O5	DMPI24	1	1
	4.76	40.72	62.57
	20	P	P5	DMPI24	1	1
	3.29	41.09	63.21
	21	O	OP52	DMPI24	1	1
	3.38	42.47	63.86
	22	O	OP53	DMPI24	1	1
	3.01	40.02	64.26
	23	O	OP54	DMPI24	1	1
	2.33	40.94	62.06
	24	C	C16	DMPI24	1	1
	5.7	40.57	60.34
	25	H	H6	DMPI24	1	1
	6.32	39.71	60.68
	26	O	O6	DMPI24	1	1
	4.48	40.07	59.74
	27	H	HO6	DMPI24	1	1
	4.66	39.28	59.25
	28	C	C11	DMPI24	1	1
	6.47	41.36	59.29
	29	H	H1	DMPI24	1	1
	5.78	42.17	58.93
	30	P	P	DMPI24	1	1
	6.64	40.78	56.67
	31	O	O13	DMPI24	1	1
	5.19	40.8	56.42
	32	O	O14	DMPI24	1	1
	7.4	42	56.31
	33	O	O11	DMPI24	1	1
	7.31	39.51	56
	34	O	O12	DMPI24	1	1
	6.92	40.48	58.24
	35	C	C1	DMPI24	1	1
	8.25	38.64	56.65
	36	H	HA	DMPI24	1	1
	7.84	38.21	57.6
	37	H	HB	DMPI24	1	1
	9.15	39.19	56.93
	38	C	C2	DMPI24	1	1
	8.92	37.57	55.71
	39	H	HS	DMPI24	1	1
	9.96	37.42	56.01
	40	O	O21	DMPI24	1	1
	8.81	37.85	54.31
	41	C	C21	DMPI24	1	1
	9.53	38.89	53.99
	42	O	O22	DMPI24	1	1
	10.36	39.41	54.71
	43	C	C22	DMPI24	1	1
	9.22	39.27	52.56
	44	H	H2R	DMPI24	1	1
	8.16	39.58	52.57
	45	H	H2S	DMPI24	1	1
	9.36	38.39	51.89
	46	C	C3	DMPI24	1	1
	8.34	36.23	55.96
	47	H	HX	DMPI24	1	1
	8.39	36.02	57.06
	48	H	HY	DMPI24	1	1
	8.66	35.38	55.32
	49	O	O31	DMPI24	1	1
	7.11	36.5	55.53
	50	C	C31	DMPI24	1	1
	6.35	35.76	56.03
	51	O	O32	DMPI24	1	1
	6.35	35.05	57.02
	52	C	C32	DMPI24	1	1
	5.32	36.17	55.18
	53	H	H2X	DMPI24	1	1
	4.84	36.66	56.05
	54	H	H2Y	DMPI24	1	1
	5.22	35.19	54.75
	55	C	C23	DMPI24	1	1
	10.02	40.48	52.1
	56	H	H3R	DMPI24	1	1
	11.1	40.24	52.16
	57	H	H3S	DMPI24	1	1
	9.81	41.34	52.78
	58	C	C24	DMPI24	1	1
	9.71	40.91	50.66
	59	H	H4R	DMPI24	1	1
	8.75	41.49	50.68
	60	H	H4S	DMPI24	1	1
	9.66	40.05	49.97
	61	C	C25	DMPI24	1	1
	10.81	41.78	50.11
	62	H	H5R	DMPI24	1	1
	11.79	41.24	50.19
	63	H	H5S	DMPI24	1	1
	10.81	42.6	50.82
	64	C	C26	DMPI24	1	1
	10.6	42.37	48.71
	65	H	H6R	DMPI24	1	1
	10.37	41.55	48.01
	66	H	H6S	DMPI24	1	1
	11.54	42.83	48.37
	67	C	C27	DMPI24	1	1
	9.53	43.48	48.6
	68	H	H7R	DMPI24	1	1
	9.83	44.29	49.29
	69	H	H7S	DMPI24	1	1
	8.54	43.08	48.91
	70	C	C28	DMPI24	1	1
	9.45	44.02	47.16
	71	H	H8R	DMPI24	1	1
	9.12	43.15	46.54
	72	H	H8S	DMPI24	1	1
	10.47	44.32	46.82
	73	C	C29	DMPI24	1	1
	8.56	45.25	46.89
	74	H	H9R	DMPI24	1	1
	9.05	46.12	47.39
	75	H	H9S	DMPI24	1	1
	7.54	45.16	47.33
	76	C	C210	DMPI24	1	1
	8.48	45.58	45.39
	77	H	H10R	DMPI24	1	1
	9.5	45.86	45.03
	78	H	H10S	DMPI24	1	1
	7.81	46.46	45.25
	79	C	C211	DMPI24	1	1
	8.06	44.41	44.47
	80	H	H11R	DMPI24	1	1
	7.25	43.84	44.96
	81	H	H11S	DMPI24	1	1
	8.88	43.67	44.42
	82	C	C212	DMPI24	1	1
	7.71	44.87	43.03
	83	H	H12R	DMPI24	1	1
	8.54	45.47	42.63
	84	H	H12S	DMPI24	1	1
	6.85	45.57	43.05
	85	C	C213	DMPI24	1	1
	7.31	43.74	42.07
	86	H	H13R	DMPI24	1	1
	6.38	43.25	42.42
	87	H	H13S	DMPI24	1	1
	8.12	42.97	42.07
	88	C	C214	DMPI24	1	1
	7.06	44.24	40.64
	89	H	H14R	DMPI24	1	1
	8.01	44.29	40.07
	90	H	H14S	DMPI24	1	1
	6.35	43.56	40.11
	91	H	H14T	DMPI24	1	1
	6.62	45.25	40.65
	92	C	C33	DMPI24	1	1
	5.09	36.69	53.77
	93	H	H3X	DMPI24	1	1
	4.16	36.13	53.43
	94	H	H3Y	DMPI24	1	1
	5.95	36.3	53.23
	95	C	C34	DMPI24	1	1
	4.9	38.2	53.81
	96	H	H4X	DMPI24	1	1
	5.66	38.51	54.53
	97	H	H4Y	DMPI24	1	1
	3.89	38.6	54.13
	98	C	C35	DMPI24	1	1
	5.16	38.86	52.51
	99	H	H5X	DMPI24	1	1
	5.14	39.95	52.43
	100	H	H5Y	DMPI24	1	1
	4.11	38.81	52.24
	101	C	C36	DMPI24	1	1
	6.29	38.17	51.7
	102	H	H6X	DMPI24	1	1
	6.12	37.09	51.55
	103	H	H6Y	DMPI24	1	1
	7.12	38.03	52.4
	104	C	C37	DMPI24	1	1
	6.87	38.9	50.42
	105	H	H7X	DMPI24	1	1
	7.66	38.23	50.02
	106	H	H7Y	DMPI24	1	1
	7.05	39.96	50.63
	107	C	C38	DMPI24	1	1
	6.03	39.06	49.2
	108	H	H8X	DMPI24	1	1
	5.13	39.62	49.54
	109	H	H8Y	DMPI24	1	1
	6.06	37.95	48.96
	110	C	C39	DMPI24	1	1
	5.92	39.85	47.9
	111	H	H9X	DMPI24	1	1
	5.91	40.92	48.16
	112	H	H9Y	DMPI24	1	1
	4.9	39.74	47.4
	113	C	C310	DMPI24	1	1
	6.84	39.24	46.88
	114	H	H10X	DMPI24	1	1
	6.7	38.14	46.75
	115	H	H10Y	DMPI24	1	1
	7.84	39.4	47.33
	116	C	C311	DMPI24	1	1
	6.6	39.95	45.57
	117	H	H11X	DMPI24	1	1
	6.74	41.02	45.85
	118	H	H11Y	DMPI24	1	1
	5.56	39.78	45.23
	119	C	C312	DMPI24	1	1
	7.57	39.55	44.46
	120	H	H12X	DMPI24	1	1
	7.37	38.54	44.05
	121	H	H12Y	DMPI24	1	1
	8.56	39.5	44.96
	122	C	C313	DMPI24	1	1
	7.6	40.59	43.33
	123	H	H13X	DMPI24	1	1
	8.66	40.64	42.97
	124	H	H13Y	DMPI24	1	1
	7.33	41.6	43.72
	125	C	C314	DMPI24	1	1
	6.72	40.3	42.12
	126	H	H14X	DMPI24	1	1
	6.81	39.24	41.81
	127	H	H14Y	DMPI24	1	1
	5.65	40.51	42.35
	128	H	H14Z	DMPI24	1	1
	7.03	40.95	41.27

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

_cell.entry_id	DMPI24
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

