# --------------------------------------------------------------------------
#
# 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 SDPE.gro
#
#---------------------------------------------------------------------------

data_SDPE

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

_entry.id	SDPE

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

_chemical.entry_id	SDPE
_chemical.name_common	'SDPE'

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

_chemical_formula.entry_id	SDPE
_chemical_formula.structural	'C45H85NO8P'

###############
## 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	N	N	SDPE	1	1
	74.7	26.92	60.99
	2	H	HN1	SDPE	1	1
	74.45	26.34	61.82
	3	H	HN2	SDPE	1	1
	75.13	27.8	61.31
	4	H	HN3	SDPE	1	1
	73.81	27.11	60.47
	5	C	C12	SDPE	1	1
	75.64	26.29	60.01
	6	H	H12A	SDPE	1	1
	76.67	26.37	60.4
	7	H	H12B	SDPE	1	1
	75.54	26.88	59.08
	8	C	C11	SDPE	1	1
	75.3	24.81	59.8
	9	H	H11A	SDPE	1	1
	75.36	24.32	60.8
	10	H	H11B	SDPE	1	1
	76.07	24.34	59.14
	11	P	P	SDPE	1	1
	72.81	23.94	59.91
	12	O	O13	SDPE	1	1
	71.53	24.55	59.51
	13	O	O14	SDPE	1	1
	73.11	23.86	61.35
	14	O	O12	SDPE	1	1
	74.02	24.67	59.2
	15	O	O11	SDPE	1	1
	73.06	22.5	59.35
	16	C	C1	SDPE	1	1
	72.17	21.82	58.48
	17	H	HA	SDPE	1	1
	71.08	22	58.67
	18	H	HB	SDPE	1	1
	72.35	20.73	58.65
	19	C	C2	SDPE	1	1
	72.55	22.04	56.99
	20	H	HS	SDPE	1	1
	73.01	21.06	56.67
	21	O	O21	SDPE	1	1
	73.43	23.15	56.83
	22	C	C21	SDPE	1	1
	74.36	23	55.94
	23	O	O22	SDPE	1	1
	74.53	22.04	55.25
	24	C	C22	SDPE	1	1
	75.3	24.15	55.81
	25	H	H2R	SDPE	1	1
	75.67	24.43	56.81
	26	H	H2S	SDPE	1	1
	74.7	24.94	55.31
	27	C	C3	SDPE	1	1
	71.32	22.31	56.14
	28	H	HX	SDPE	1	1
	70.58	21.7	56.67
	29	H	HY	SDPE	1	1
	71.55	22.05	55.07
	30	O	O31	SDPE	1	1
	70.75	23.59	56.28
	31	C	C31	SDPE	1	1
	69.99	24	55.32
	32	O	O32	SDPE	1	1
	69.61	23.39	54.34
	33	C	C32	SDPE	1	1
	69.79	25.45	55.57
	34	H	H2X	SDPE	1	1
	69.97	25.67	56.65
	35	H	H2Y	SDPE	1	1
	68.75	25.7	55.27
	36	C	C23	SDPE	1	1
	76.49	23.75	54.9
	37	H	H3R	SDPE	1	1
	76.13	23.61	53.86
	38	H	H3S	SDPE	1	1
	76.94	22.8	55.25
	39	C	C24	SDPE	1	1
	77.55	24.81	54.98
	40	H	H4R	SDPE	1	1
	78.06	24.85	55.95
	41	C	C25	SDPE	1	1
	77.92	25.66	54
	42	H	H5R	SDPE	1	1
	78.65	26.44	54.24
	43	C	C26	SDPE	1	1
	77.35	25.72	52.61
	44	H	H6R	SDPE	1	1
	77.43	24.73	52.1
	45	H	H6S	SDPE	1	1
	77.92	26.38	51.93
	46	C	C27	SDPE	1	1
	76	26.4	52.7
	47	H	H7R	SDPE	1	1
	76.04	27.37	53.19
	48	C	C28	SDPE	1	1
	74.83	26	52.21
	49	H	H8R	SDPE	1	1
	73.93	26.62	52.22
	50	C	C29	SDPE	1	1
	74.64	24.78	51.47
	51	H	H9R	SDPE	1	1
	73.69	24.26	51.72
	52	H	H9S	SDPE	1	1
	75.56	24.15	51.66
	53	C	C210	SDPE	1	1
	74.5	25.21	50.08
	54	H	H10R	SDPE	1	1
	75.55	25.35	49.74
	55	C	C211	SDPE	1	1
	73.58	24.95	49.1
	56	H	H11R	SDPE	1	1
	74.07	25.1	48.11
	57	C	C212	SDPE	1	1
	72.32	24.05	49.1
	58	H	H12R	SDPE	1	1
	72.12	23.75	50.14
	59	H	H12S	SDPE	1	1
	72.3	23.04	48.55
	60	C	C213	SDPE	1	1
	71.2	24.59	48.37
	61	H	H13R	SDPE	1	1
	70.8	25.29	49.04
	62	C	C214	SDPE	1	1
	70.75	24.62	47.12
	63	H	H14R	SDPE	1	1
	69.88	25.16	46.93
	64	C	C215	SDPE	1	1
	71.1	24.16	45.81
	65	H	H15R	SDPE	1	1
	70.24	23.56	45.44
	66	H	H15S	SDPE	1	1
	71.91	23.57	46.16
	67	C	C216	SDPE	1	1
	71.78	24.86	44.71
	68	H	H16R	SDPE	1	1
	72.87	24.83	44.96
	69	C	C217	SDPE	1	1
	71.45	24.8	43.38
	70	H	H17R	SDPE	1	1
	72.19	25.21	42.71
	71	C	C218	SDPE	1	1
	70.35	24.06	42.59
	72	H	H18R	SDPE	1	1
	69.7	24.68	42.01
	73	H	H18S	SDPE	1	1
	69.65	23.46	43.23
	74	C	C219	SDPE	1	1
	71	23.18	41.55
	75	H	H19R	SDPE	1	1
	71.1	22.18	41.74
	76	C	C220	SDPE	1	1
	70.87	22.87	40.34
	77	H	H20R	SDPE	1	1
	71.55	22.04	39.88
	78	C	C221	SDPE	1	1
	69.79	23.53	39.57
	79	H	H21R	SDPE	1	1
	70.18	24.4	39.06
	80	H	H21S	SDPE	1	1
	69.24	24.2	40.2
	81	C	C222	SDPE	1	1
	69.06	22.76	38.42
	82	H	H22R	SDPE	1	1
	68.79	23.55	37.69
	83	H	H22S	SDPE	1	1
	68.31	22.1	38.79
	84	H	H22T	SDPE	1	1
	69.73	22.09	37.79
	85	C	C33	SDPE	1	1
	70.76	26.21	54.71
	86	H	H3X	SDPE	1	1
	70.61	25.91	53.64
	87	H	H3Y	SDPE	1	1
	71.83	26.08	54.98
	88	C	C34	SDPE	1	1
	70.46	27.65	54.9
	89	H	H4X	SDPE	1	1
	70.89	28.13	55.8
	90	H	H4Y	SDPE	1	1
	69.35	27.86	54.93
	91	C	C35	SDPE	1	1
	71.11	28.27	53.72
	92	H	H5X	SDPE	1	1
	72.13	28.68	53.69
	93	H	H5Y	SDPE	1	1
	70.33	29.02	53.92
	94	C	C36	SDPE	1	1
	70.47	28.22	52.44
	95	H	H6X	SDPE	1	1
	69.35	28.13	52.78
	96	H	H6Y	SDPE	1	1
	70.6	27.32	51.92
	97	C	C37	SDPE	1	1
	71.05	29.03	51.23
	98	H	H7X	SDPE	1	1
	71.1	30.15	51.2
	99	H	H7Y	SDPE	1	1
	70.26	28.7	50.52
	100	C	C38	SDPE	1	1
	72.26	29.75	50.77
	101	H	H8X	SDPE	1	1
	72.99	29.86	51.57
	102	H	H8Y	SDPE	1	1
	72.3	30.84	50.28
	103	C	C39	SDPE	1	1
	72.45	28.66	49.84
	104	H	H9X	SDPE	1	1
	71.75	28.56	48.98
	105	H	H9Y	SDPE	1	1
	72.48	27.73	50.44
	106	C	C310	SDPE	1	1
	73.68	29.08	49.35
	107	H	H10X	SDPE	1	1
	74.26	29.34	50.24
	108	H	H10Y	SDPE	1	1
	73.43	30.13	49.01
	109	C	C311	SDPE	1	1
	74.21	28.02	48.32
	110	H	H11X	SDPE	1	1
	73.65	28.08	47.39
	111	H	H11Y	SDPE	1	1
	74.26	27.13	48.9
	112	C	C312	SDPE	1	1
	75.67	27.95	47.93
	113	H	H12X	SDPE	1	1
	75.89	28.08	48.97
	114	H	H12Y	SDPE	1	1
	76.26	28.63	47.35
	115	C	C313	SDPE	1	1
	76.6	27.04	47.28
	116	H	H13X	SDPE	1	1
	76.35	26.16	47.8
	117	H	H13Y	SDPE	1	1
	77.66	27.38	47.53
	118	C	C314	SDPE	1	1
	76.48	27.14	45.79
	119	H	H14X	SDPE	1	1
	76.98	26.22	45.48
	120	H	H14Y	SDPE	1	1
	76.99	28.09	45.53
	121	C	C315	SDPE	1	1
	75.15	27.22	45.1
	122	H	H15X	SDPE	1	1
	74.76	28.25	45.02
	123	H	H15Y	SDPE	1	1
	74.52	26.65	45.79
	124	C	C316	SDPE	1	1
	75.14	26.61	43.7
	125	H	H16X	SDPE	1	1
	74.14	26.71	43.25
	126	H	H16Y	SDPE	1	1
	75.51	25.56	43.73
	127	C	C317	SDPE	1	1
	75.94	27.35	42.7
	128	H	H17X	SDPE	1	1
	76.9	26.87	42.98
	129	H	H17Y	SDPE	1	1
	75.95	28.45	42.82
	130	C	C318	SDPE	1	1
	75.65	27.15	41.26
	131	H	H18X	SDPE	1	1
	74.76	27.66	40.9
	132	H	H18Y	SDPE	1	1
	75.77	26.06	41.11
	133	H	H18Z	SDPE	1	1
	76.33	27.72	40.61

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

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

