# --------------------------------------------------------------------------
#
# 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 DMPI2C.gro
#
#---------------------------------------------------------------------------

data_DMPI2C

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

_entry.id	DMPI2C

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

_chemical.entry_id	DMPI2C
_chemical.name_common	'DMPI2C'

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

_chemical_formula.entry_id	DMPI2C
_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	DMPI2C	1	1
	44.07	7.51	60.13
	2	H	H2	DMPI2C	1	1
	45.02	7	59.87
	3	O	O2	DMPI2C	1	1
	43.1	6.57	59.66
	4	H	HO2	DMPI2C	1	1
	43.23	6.65	58.69
	5	C	C13	DMPI2C	1	1
	44	7.8	61.63
	6	H	H3	DMPI2C	1	1
	44.46	8.8	61.74
	7	O	O3	DMPI2C	1	1
	44.98	7.01	62.37
	8	P	P3	DMPI2C	1	1
	46.68	7.46	62.16
	9	O	OP32	DMPI2C	1	1
	47.3	8.59	63.18
	10	H	HP32	DMPI2C	1	1
	46.53	9.11	63.46
	11	O	OP33	DMPI2C	1	1
	47.41	6.18	62.44
	12	O	OP34	DMPI2C	1	1
	46.89	7.98	60.78
	13	C	C14	DMPI2C	1	1
	42.56	8.35	62
	14	H	H4	DMPI2C	1	1
	41.75	7.63	61.74
	15	O	O4	DMPI2C	1	1
	42.6	8.65	63.42
	16	P	P4	DMPI2C	1	1
	43.63	9.64	64.33
	17	O	OP42	DMPI2C	1	1
	45.07	9.62	63.87
	18	O	OP43	DMPI2C	1	1
	43.64	8.99	65.72
	19	O	OP44	DMPI2C	1	1
	43.15	11.06	64.32
	20	C	C15	DMPI2C	1	1
	42.36	9.64	61.12
	21	H	H5	DMPI2C	1	1
	43.08	10.39	61.48
	22	O	O5	DMPI2C	1	1
	41.05	10.22	61.26
	23	H	HO5	DMPI2C	1	1
	41.17	11.16	61.14
	24	C	C16	DMPI2C	1	1
	42.56	9.43	59.6
	25	H	H6	DMPI2C	1	1
	41.82	8.76	59.11
	26	O	O6	DMPI2C	1	1
	42.52	10.7	58.92
	27	H	HO6	DMPI2C	1	1
	41.68	10.84	58.48
	28	C	C11	DMPI2C	1	1
	43.93	8.82	59.39
	29	H	H1	DMPI2C	1	1
	44.66	9.52	59.92
	30	P	P	DMPI2C	1	1
	45.86	8.89	57.66
	31	O	O13	DMPI2C	1	1
	46.22	10.3	57.98
	32	O	O14	DMPI2C	1	1
	46.71	7.79	58.1
	33	O	O11	DMPI2C	1	1
	45.71	8.7	56.12
	34	O	O12	DMPI2C	1	1
	44.27	8.62	58.01
	35	C	C1	DMPI2C	1	1
	46.02	9.76	55.29
	36	H	HA	DMPI2C	1	1
	46.28	9.21	54.4
	37	H	HB	DMPI2C	1	1
	46.84	10.33	55.73
	38	C	C2	DMPI2C	1	1
	44.87	10.72	54.99
	39	H	HS	DMPI2C	1	1
	44.68	11.25	55.95
	40	O	O21	DMPI2C	1	1
	43.79	9.88	54.58
	41	C	C21	DMPI2C	1	1
	42.61	10.35	54.83
	42	O	O22	DMPI2C	1	1
	42.36	11.36	55.48
	43	C	C22	DMPI2C	1	1
	41.57	9.52	54.09
	44	H	H2R	DMPI2C	1	1
	40.76	10.22	53.83
	45	H	H2S	DMPI2C	1	1
	41.17	8.74	54.76
	46	C	C3	DMPI2C	1	1
	45.15	11.79	53.88
	47	H	HX	DMPI2C	1	1
	45.95	12.5	54.2
	48	H	HY	DMPI2C	1	1
	44.21	12.37	53.74
	49	O	O31	DMPI2C	1	1
	45.55	11.14	52.67
	50	C	C31	DMPI2C	1	1
	45.02	11.52	51.53
	51	O	O32	DMPI2C	1	1
	44.22	12.41	51.37
	52	C	C32	DMPI2C	1	1
	45.57	10.63	50.42
	53	H	H2X	DMPI2C	1	1
	45.98	9.73	50.92
	54	H	H2Y	DMPI2C	1	1
	46.31	11.14	49.79
	55	C	C23	DMPI2C	1	1
	42.09	8.89	52.77
	56	H	H3R	DMPI2C	1	1
	42.9	8.16	53.01
	57	H	H3S	DMPI2C	1	1
	42.54	9.69	52.14
	58	C	C24	DMPI2C	1	1
	40.97	8.19	52
	59	H	H4R	DMPI2C	1	1
	40.17	8.93	51.8
	60	H	H4S	DMPI2C	1	1
	40.53	7.4	52.64
	61	C	C25	DMPI2C	1	1
	41.45	7.61	50.65
	62	H	H5R	DMPI2C	1	1
	41.96	8.44	50.11
	63	H	H5S	DMPI2C	1	1
	40.57	7.32	50.04
	64	C	C26	DMPI2C	1	1
	42.44	6.43	50.78
	65	H	H6R	DMPI2C	1	1
	41.88	5.5	51.03
	66	H	H6S	DMPI2C	1	1
	43.1	6.63	51.65
	67	C	C27	DMPI2C	1	1
	43.38	6.19	49.58
	68	H	H7R	DMPI2C	1	1
	43.87	5.19	49.71
	69	H	H7S	DMPI2C	1	1
	44.2	6.94	49.64
	70	C	C28	DMPI2C	1	1
	42.74	6.27	48.18
	71	H	H8R	DMPI2C	1	1
	42.14	7.2	48.11
	72	H	H8S	DMPI2C	1	1
	42.06	5.4	48.06
	73	C	C29	DMPI2C	1	1
	43.81	6.34	47.06
	74	H	H9R	DMPI2C	1	1
	44.48	5.46	47.13
	75	H	H9S	DMPI2C	1	1
	44.41	7.26	47.22
	76	C	C210	DMPI2C	1	1
	43.28	6.46	45.65
	77	H	H10R	DMPI2C	1	1
	44.08	6.29	44.89
	78	H	H10S	DMPI2C	1	1
	42.83	7.45	45.42
	79	C	C211	DMPI2C	1	1
	42.21	5.5	45.36
	80	H	H11R	DMPI2C	1	1
	41.21	5.83	45.76
	81	H	H11S	DMPI2C	1	1
	42.41	4.49	45.83
	82	C	C212	DMPI2C	1	1
	42.19	5.33	43.84
	83	H	H12R	DMPI2C	1	1
	41.35	4.83	44.17
	84	H	H12S	DMPI2C	1	1
	42.83	4.57	43.4
	85	C	C213	DMPI2C	1	1
	41.54	6.27	42.82
	86	H	H13R	DMPI2C	1	1
	40.7	6.83	43.26
	87	H	H13S	DMPI2C	1	1
	41.13	5.7	41.94
	88	C	C214	DMPI2C	1	1
	42.56	7.25	42.34
	89	H	H14R	DMPI2C	1	1
	43.36	6.69	41.92
	90	H	H14S	DMPI2C	1	1
	42.12	7.94	41.6
	91	H	H14T	DMPI2C	1	1
	43.1	7.74	43.15
	92	C	C33	DMPI2C	1	1
	44.54	10.09	49.46
	93	H	H3X	DMPI2C	1	1
	43.65	9.84	50.06
	94	H	H3Y	DMPI2C	1	1
	44.97	9.16	49.02
	95	C	C34	DMPI2C	1	1
	44.17	11.02	48.32
	96	H	H4X	DMPI2C	1	1
	45.09	11.31	47.75
	97	H	H4Y	DMPI2C	1	1
	43.73	11.96	48.72
	98	C	C35	DMPI2C	1	1
	43.18	10.31	47.39
	99	H	H5X	DMPI2C	1	1
	43.29	9.2	47.5
	100	H	H5Y	DMPI2C	1	1
	43.45	10.56	46.34
	101	C	C36	DMPI2C	1	1
	41.69	10.59	47.68
	102	H	H6X	DMPI2C	1	1
	41.56	11.68	47.89
	103	H	H6Y	DMPI2C	1	1
	41.45	10.04	48.62
	104	C	C37	DMPI2C	1	1
	40.7	10.13	46.58
	105	H	H7X	DMPI2C	1	1
	39.68	10.47	46.84
	106	H	H7Y	DMPI2C	1	1
	40.69	9.02	46.58
	107	C	C38	DMPI2C	1	1
	41.05	10.61	45.15
	108	H	H8X	DMPI2C	1	1
	42.06	10.2	44.9
	109	H	H8Y	DMPI2C	1	1
	41.12	11.72	45.14
	110	C	C39	DMPI2C	1	1
	40.11	10.08	44.04
	111	H	H9X	DMPI2C	1	1
	39.06	10.35	44.25
	112	H	H9Y	DMPI2C	1	1
	40.21	8.97	44.05
	113	C	C310	DMPI2C	1	1
	40.45	10.56	42.61
	114	H	H10X	DMPI2C	1	1
	41.49	10.23	42.37
	115	H	H10Y	DMPI2C	1	1
	40.42	11.67	42.57
	116	C	C311	DMPI2C	1	1
	39.47	10.05	41.54
	117	H	H11X	DMPI2C	1	1
	38.44	10.35	41.84
	118	H	H11Y	DMPI2C	1	1
	39.48	8.94	41.49
	119	C	C312	DMPI2C	1	1
	39.69	10.6	40.12
	120	H	H12X	DMPI2C	1	1
	40.76	10.46	39.81
	121	H	H12Y	DMPI2C	1	1
	39.51	11.7	40.14
	122	C	C313	DMPI2C	1	1
	38.71	9.89	39.16
	123	H	H13X	DMPI2C	1	1
	37.67	10.16	39.4
	124	H	H13Y	DMPI2C	1	1
	38.92	8.8	39.14
	125	C	C314	DMPI2C	1	1
	38.75	10.23	37.73
	126	H	H14X	DMPI2C	1	1
	39.75	9.77	37.48
	127	H	H14Y	DMPI2C	1	1
	38.12	9.87	36.92
	128	H	H14Z	DMPI2C	1	1
	38.65	11.36	37.67

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

_cell.entry_id	DMPI2C
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

