# --------------------------------------------------------------------------
#
# 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 DMPI35.gro
#
#---------------------------------------------------------------------------

data_DMPI35

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

_entry.id	DMPI35

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

_chemical.entry_id	DMPI35
_chemical.name_common	'DMPI35'

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

_chemical_formula.entry_id	DMPI35
_chemical_formula.structural	'C37H78O22P4'

###############
## 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	DMPI35	1	1
	49.23	12.61	60.78
	2	H	H2	DMPI35	1	1
	48.58	11.82	60.39
	3	O	O2	DMPI35	1	1
	48.54	13.8	60.53
	4	H	HO2	DMPI35	1	1
	48.94	14.51	61.11
	5	C	C13	DMPI35	1	1
	49.42	12.42	62.28
	6	H	H3	DMPI35	1	1
	49.89	11.43	62.51
	7	O	O3	DMPI35	1	1
	48.2	12.61	62.96
	8	P	P3	DMPI35	1	1
	47.38	11.33	63.3
	9	O	OP32	DMPI35	1	1
	48.13	10.42	64.28
	10	O	OP33	DMPI35	1	1
	47.18	10.73	61.94
	11	O	OP34	DMPI35	1	1
	46.08	11.95	63.83
	12	C	C14	DMPI35	1	1
	50.3	13.42	62.89
	13	H	H4	DMPI35	1	1
	49.94	14.42	62.76
	14	O	O4	DMPI35	1	1
	50.39	13.22	64.32
	15	P	P4	DMPI35	1	1
	49.98	14.34	65.49
	16	O	OP42	DMPI35	1	1
	50.47	13.75	66.79
	17	O	OP43	DMPI35	1	1
	48.45	14.41	65.55
	18	O	OP44	DMPI35	1	1
	50.64	15.69	65.28
	19	C	C15	DMPI35	1	1
	51.57	13.26	62.09
	20	H	H5	DMPI35	1	1
	51.95	12.22	62.23
	21	O	O5	DMPI35	1	1
	52.37	14.29	62.5
	22	P	P5	DMPI35	1	1
	53.34	13.84	63.65
	23	O	OP52	DMPI35	1	1
	54.15	13.17	62.35
	24	H	HP52	DMPI35	1	1
	55.06	12.88	62.53
	25	O	OP53	DMPI35	1	1
	53.72	15.22	64.15
	26	O	OP54	DMPI35	1	1
	52.9	12.65	64.49
	27	C	C16	DMPI35	1	1
	51.51	13.56	60.61
	28	H	H6	DMPI35	1	1
	51.18	14.62	60.43
	29	O	O6	DMPI35	1	1
	52.78	13.34	59.95
	30	H	HO6	DMPI35	1	1
	52.94	14.02	59.33
	31	C	C11	DMPI35	1	1
	50.58	12.56	60.08
	32	H	H1	DMPI35	1	1
	51.06	11.56	60.27
	33	P	P	DMPI35	1	1
	50.59	11.76	57.55
	34	O	O13	DMPI35	1	1
	52	11.35	57.41
	35	O	O14	DMPI35	1	1
	49.61	10.7	57.74
	36	O	O11	DMPI35	1	1
	50.23	12.48	56.19
	37	O	O12	DMPI35	1	1
	50.43	12.89	58.69
	38	C	C1	DMPI35	1	1
	50.47	13.85	55.93
	39	H	HA	DMPI35	1	1
	51.23	14.3	56.59
	40	H	HB	DMPI35	1	1
	49.52	14.36	56.13
	41	C	C2	DMPI35	1	1
	50.8	14.1	54.43
	42	H	HS	DMPI35	1	1
	50.74	15.21	54.26
	43	O	O21	DMPI35	1	1
	49.84	13.42	53.63
	44	C	C21	DMPI35	1	1
	49.88	13.73	52.37
	45	O	O22	DMPI35	1	1
	50.45	14.67	51.86
	46	C	C22	DMPI35	1	1
	49.19	12.64	51.61
	47	H	H2R	DMPI35	1	1
	48.47	12.08	52.25
	48	H	H2S	DMPI35	1	1
	50.01	11.94	51.34
	49	C	C3	DMPI35	1	1
	52.23	13.63	54.04
	50	H	HX	DMPI35	1	1
	52.88	14.19	54.66
	51	H	HY	DMPI35	1	1
	52.48	13.83	52.98
	52	O	O31	DMPI35	1	1
	52.53	12.33	54.38
	53	C	C31	DMPI35	1	1
	53.82	11.93	54.5
	54	O	O32	DMPI35	1	1
	54.81	12.61	54.39
	55	C	C32	DMPI35	1	1
	53.95	10.49	54.58
	56	H	H2X	DMPI35	1	1
	53.76	10.11	55.61
	57	H	H2Y	DMPI35	1	1
	54.82	10	54.09
	58	C	C23	DMPI35	1	1
	48.47	13.23	50.39
	59	H	H3R	DMPI35	1	1
	49.18	13.73	49.69
	60	H	H3S	DMPI35	1	1
	47.66	13.93	50.67
	61	C	C24	DMPI35	1	1
	47.83	12.12	49.65
	62	H	H4R	DMPI35	1	1
	47.26	12.52	48.77
	63	H	H4S	DMPI35	1	1
	47.08	11.56	50.26
	64	C	C25	DMPI35	1	1
	48.95	11.17	49.25
	65	H	H5R	DMPI35	1	1
	49.41	10.57	50.04
	66	H	H5S	DMPI35	1	1
	49.71	11.58	48.54
	67	C	C26	DMPI35	1	1
	48.19	10.22	48.47
	68	H	H6R	DMPI35	1	1
	47.9	11.05	47.87
	69	H	H6S	DMPI35	1	1
	47.24	9.93	48.99
	70	C	C27	DMPI35	1	1
	48.94	9.16	47.62
	71	H	H7R	DMPI35	1	1
	48.49	8.23	47.25
	72	H	H7S	DMPI35	1	1
	48.97	9.08	48.65
	73	C	C28	DMPI35	1	1
	50.36	9.15	47.18
	74	H	H8R	DMPI35	1	1
	50.77	8.11	47.03
	75	H	H8S	DMPI35	1	1
	50.94	9.69	47.92
	76	C	C29	DMPI35	1	1
	50.45	9.38	45.74
	77	H	H9R	DMPI35	1	1
	51.49	9.2	45.39
	78	H	H9S	DMPI35	1	1
	50.26	10.46	45.6
	79	C	C210	DMPI35	1	1
	49.45	8.38	45.02
	80	H	H10R	DMPI35	1	1
	48.4	8.34	45.34
	81	H	H10S	DMPI35	1	1
	49.9	7.44	44.78
	82	C	C211	DMPI35	1	1
	48.96	8.69	43.7
	83	H	H11R	DMPI35	1	1
	49.96	9.27	43.83
	84	H	H11S	DMPI35	1	1
	49.01	9.79	43.58
	85	C	C212	DMPI35	1	1
	48.61	7.56	42.15
	86	H	H12R	DMPI35	1	1
	47.67	7.09	42.46
	87	H	H12S	DMPI35	1	1
	49.33	6.86	42.52
	88	C	C213	DMPI35	1	1
	48.77	8.15	40.12
	89	H	H13R	DMPI35	1	1
	48.27	9.04	39.64
	90	H	H13S	DMPI35	1	1
	48.47	7.38	39.49
	91	C	C214	DMPI35	1	1
	49.9	9.31	39.17
	92	H	H14R	DMPI35	1	1
	49.93	10.46	39.18
	93	H	H14S	DMPI35	1	1
	50.5	10.08	39.78
	94	H	H14T	DMPI35	1	1
	50.85	8.76	39.2
	95	C	C33	DMPI35	1	1
	52.83	10.11	53.73
	96	H	H3X	DMPI35	1	1
	51.82	10.41	54.1
	97	H	H3Y	DMPI35	1	1
	53.13	9.06	54.03
	98	C	C34	DMPI35	1	1
	52.65	10.29	52.24
	99	H	H4X	DMPI35	1	1
	52.17	11.25	52
	100	H	H4Y	DMPI35	1	1
	51.81	9.77	51.78
	101	C	C35	DMPI35	1	1
	53.78	9.81	51.42
	102	H	H5X	DMPI35	1	1
	53.94	8.7	51.52
	103	H	H5Y	DMPI35	1	1
	54.62	10.38	51.84
	104	C	C36	DMPI35	1	1
	53.44	10.21	50
	105	H	H6X	DMPI35	1	1
	53.08	11.27	50.04
	106	H	H6Y	DMPI35	1	1
	52.6	9.58	49.63
	107	C	C37	DMPI35	1	1
	54.62	10.1	49.08
	108	H	H7X	DMPI35	1	1
	55.22	9.19	49.32
	109	H	H7Y	DMPI35	1	1
	55.24	11	49.21
	110	C	C38	DMPI35	1	1
	54.3	10.15	47.61
	111	H	H8X	DMPI35	1	1
	53.56	9.39	47.38
	112	H	H8Y	DMPI35	1	1
	55.25	9.99	47.04
	113	C	C39	DMPI35	1	1
	53.58	11.42	47.18
	114	H	H9X	DMPI35	1	1
	54.23	12.25	47.52
	115	H	H9Y	DMPI35	1	1
	52.6	11.48	47.7
	116	C	C310	DMPI35	1	1
	53.43	11.51	45.66
	117	H	H10X	DMPI35	1	1
	52.64	10.85	45.27
	118	H	H10Y	DMPI35	1	1
	54.39	11.18	45.2
	119	C	C311	DMPI35	1	1
	53.12	12.94	45.24
	120	H	H11X	DMPI35	1	1
	53.8	13.57	45.86
	121	H	H11Y	DMPI35	1	1
	52.07	13.19	45.5
	122	C	C312	DMPI35	1	1
	53.36	13.23	43.75
	123	H	H12X	DMPI35	1	1
	54.34	12.8	43.43
	124	H	H12Y	DMPI35	1	1
	53.41	14.32	43.63
	125	C	C313	DMPI35	1	1
	52.25	12.82	42.79
	126	H	H13X	DMPI35	1	1
	51.46	13.59	42.75
	127	H	H13Y	DMPI35	1	1
	51.72	11.93	43.2
	128	C	C314	DMPI35	1	1
	52.77	12.62	41.35
	129	H	H14X	DMPI35	1	1
	53.18	13.51	40.86
	130	H	H14Y	DMPI35	1	1
	53.67	11.96	41.33
	131	H	H14Z	DMPI35	1	1
	51.98	12.13	40.74

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

_cell.entry_id	DMPI35
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

