# --------------------------------------------------------------------------
#
# 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 DSPE.gro
#
#---------------------------------------------------------------------------

data_DSPE

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

_entry.id	DSPE

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

_chemical.entry_id	DSPE
_chemical.name_common	'DSPE'

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

_chemical_formula.entry_id	DSPE
_chemical_formula.structural	'C41H83NO8P'

###############
## 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	DSPE	1	1
	35.17	19.37	63.3
	2	H	HN1	DSPE	1	1
	35.78	19.76	62.54
	3	H	HN2	DSPE	1	1
	34.77	20.19	63.8
	4	H	HN3	DSPE	1	1
	35.76	18.8	63.93
	5	C	C12	DSPE	1	1
	34.14	18.48	62.6
	6	H	H12A	DSPE	1	1
	33.56	19.07	61.86
	7	H	H12B	DSPE	1	1
	33.46	18.1	63.38
	8	C	C11	DSPE	1	1
	34.71	17.54	61.57
	9	H	H11A	DSPE	1	1
	33.82	17.11	61.02
	10	H	H11B	DSPE	1	1
	35.23	16.74	62.13
	11	P	P	DSPE	1	1
	35.06	18.67	59.25
	12	O	O13	DSPE	1	1
	33.94	19.58	59.54
	13	O	O14	DSPE	1	1
	34.81	17.46	58.43
	14	O	O11	DSPE	1	1
	36.3	19.49	58.7
	15	O	O12	DSPE	1	1
	35.62	18.23	60.7
	16	C	C1	DSPE	1	1
	37.07	20.24	59.63
	17	H	HA	DSPE	1	1
	37.64	19.58	60.29
	18	H	HB	DSPE	1	1
	36.39	20.77	60.32
	19	C	C2	DSPE	1	1
	38.17	21.12	58.9
	20	H	HS	DSPE	1	1
	38.8	21.59	59.7
	21	O	O21	DSPE	1	1
	37.69	22.16	58.02
	22	C	C21	DSPE	1	1
	36.81	22.83	58.69
	23	O	O22	DSPE	1	1
	36.67	22.78	59.88
	24	C	C22	DSPE	1	1
	36.06	23.76	57.87
	25	H	H2R	DSPE	1	1
	36.76	24.51	57.45
	26	H	H2S	DSPE	1	1
	35.3	24.31	58.47
	27	C	C3	DSPE	1	1
	39.08	20.27	58.03
	28	H	HX	DSPE	1	1
	39.94	20.92	57.73
	29	H	HY	DSPE	1	1
	39.44	19.42	58.65
	30	O	O31	DSPE	1	1
	38.38	19.84	56.85
	31	C	C31	DSPE	1	1
	39.14	19.05	56.12
	32	O	O32	DSPE	1	1
	40.15	18.48	56.52
	33	C	C32	DSPE	1	1
	38.41	18.78	54.8
	34	H	H2X	DSPE	1	1
	37.66	17.99	55.02
	35	H	H2Y	DSPE	1	1
	39.13	18.42	54.05
	36	C	C23	DSPE	1	1
	35.42	22.87	56.82
	37	H	H3R	DSPE	1	1
	36.21	22.43	56.16
	38	H	H3S	DSPE	1	1
	34.7	23.42	56.21
	39	C	C24	DSPE	1	1
	34.28	21.97	57.12
	40	H	H4R	DSPE	1	1
	33.35	22.54	57.32
	41	H	H4S	DSPE	1	1
	34.57	21.39	58
	42	C	C25	DSPE	1	1
	34.12	21.11	55.87
	43	H	H5R	DSPE	1	1
	33.61	20.24	56.25
	44	H	H5S	DSPE	1	1
	35.1	20.72	55.57
	45	C	C26	DSPE	1	1
	33.35	21.66	54.64
	46	H	H6R	DSPE	1	1
	33.85	22.55	54.22
	47	H	H6S	DSPE	1	1
	32.31	21.94	54.93
	48	C	C27	DSPE	1	1
	33.27	20.59	53.54
	49	H	H7R	DSPE	1	1
	32.68	19.75	53.95
	50	H	H7S	DSPE	1	1
	34.28	20.19	53.36
	51	C	C28	DSPE	1	1
	32.66	21.02	52.2
	52	H	H8R	DSPE	1	1
	33.27	21.81	51.72
	53	H	H8S	DSPE	1	1
	31.63	21.42	52.34
	54	C	C29	DSPE	1	1
	32.58	19.81	51.27
	55	H	H9R	DSPE	1	1
	31.92	19.08	51.81
	56	H	H9S	DSPE	1	1
	33.56	19.32	51.09
	57	C	C210	DSPE	1	1
	31.91	20.12	49.94
	58	H	H10R	DSPE	1	1
	31.09	20.83	50.21
	59	H	H10S	DSPE	1	1
	31.56	19.14	49.53
	60	C	C211	DSPE	1	1
	32.58	20.79	48.78
	61	H	H11R	DSPE	1	1
	33.09	21.69	49.19
	62	H	H11S	DSPE	1	1
	31.78	21.13	48.08
	63	C	C212	DSPE	1	1
	33.51	19.84	48.04
	64	H	H12R	DSPE	1	1
	34.03	19.18	48.77
	65	H	H12S	DSPE	1	1
	34.25	20.48	47.52
	66	C	C213	DSPE	1	1
	32.82	18.97	46.99
	67	H	H13R	DSPE	1	1
	31.96	18.41	47.42
	68	H	H13S	DSPE	1	1
	33.54	18.22	46.6
	69	C	C214	DSPE	1	1
	32.39	19.86	45.84
	70	H	H14R	DSPE	1	1
	33.19	20.59	45.59
	71	H	H14S	DSPE	1	1
	31.47	20.44	46.07
	72	C	C215	DSPE	1	1
	32.24	19.09	44.58
	73	H	H15R	DSPE	1	1
	31.49	18.26	44.71
	74	H	H15S	DSPE	1	1
	33.19	18.63	44.22
	75	C	C216	DSPE	1	1
	31.75	20.07	43.55
	76	H	H16R	DSPE	1	1
	31.47	19.22	42.98
	77	H	H16S	DSPE	1	1
	30.88	20.65	43.93
	78	C	C217	DSPE	1	1
	32.65	20.91	42.66
	79	H	H17R	DSPE	1	1
	32.66	21.87	43.21
	80	H	H17S	DSPE	1	1
	33.64	20.41	42.63
	81	C	C218	DSPE	1	1
	32.25	21.23	41.2
	82	H	H18R	DSPE	1	1
	32.41	20.4	40.49
	83	H	H18S	DSPE	1	1
	31.21	21.62	41.1
	84	H	H18T	DSPE	1	1
	32.91	22	40.8
	85	C	C33	DSPE	1	1
	37.63	20	54.28
	86	H	H3X	DSPE	1	1
	38.27	20.9	54.23
	87	H	H3Y	DSPE	1	1
	36.84	20.18	55.03
	88	C	C34	DSPE	1	1
	36.96	19.77	52.92
	89	H	H4X	DSPE	1	1
	36.21	20.59	52.77
	90	H	H4Y	DSPE	1	1
	36.43	18.79	52.9
	91	C	C35	DSPE	1	1
	37.94	19.86	51.76
	92	H	H5X	DSPE	1	1
	38.72	19.08	51.84
	93	H	H5Y	DSPE	1	1
	38.47	20.84	51.86
	94	C	C36	DSPE	1	1
	37.23	19.65	50.4
	95	H	H6X	DSPE	1	1
	36.68	20.6	50.15
	96	H	H6Y	DSPE	1	1
	36.55	18.79	50.39
	97	C	C37	DSPE	1	1
	38.27	19.24	49.36
	98	H	H7X	DSPE	1	1
	39.13	18.66	49.66
	99	H	H7Y	DSPE	1	1
	38.56	20.25	49.39
	100	C	C38	DSPE	1	1
	38.04	18.95	47.88
	101	H	H8X	DSPE	1	1
	37.55	18	47.71
	102	H	H8Y	DSPE	1	1
	39.06	19.01	47.37
	103	C	C39	DSPE	1	1
	37.22	20.04	47.31
	104	H	H9X	DSPE	1	1
	38.08	20.61	47.63
	105	H	H9Y	DSPE	1	1
	36.38	20.47	47.88
	106	C	C310	DSPE	1	1
	37.03	20.07	45.8
	107	H	H10X	DSPE	1	1
	36.37	20.92	45.51
	108	H	H10Y	DSPE	1	1
	36.46	19.16	45.6
	109	C	C311	DSPE	1	1
	38.28	19.99	44.9
	110	H	H11X	DSPE	1	1
	39.19	19.5	45.26
	111	H	H11Y	DSPE	1	1
	38.71	21.01	44.89
	112	C	C312	DSPE	1	1
	37.82	19.42	43.52
	113	H	H12X	DSPE	1	1
	37.05	20.13	43.19
	114	H	H12Y	DSPE	1	1
	37.05	18.66	43.48
	115	C	C313	DSPE	1	1
	38.97	19.17	42.48
	116	H	H13X	DSPE	1	1
	39.41	18.24	42.76
	117	H	H13Y	DSPE	1	1
	39.84	19.87	42.6
	118	C	C314	DSPE	1	1
	38.56	19.29	40.99
	119	H	H14X	DSPE	1	1
	37.84	20.04	40.98
	120	H	H14Y	DSPE	1	1
	37.9	18.46	40.7
	121	C	C315	DSPE	1	1
	39.51	19.62	39.8
	122	H	H15X	DSPE	1	1
	39.12	19.45	38.78
	123	H	H15Y	DSPE	1	1
	40.3	19.08	40.23
	124	C	C316	DSPE	1	1
	40.7	20.48	39.5
	125	H	H16X	DSPE	1	1
	41.52	20.51	40.25
	126	H	H16Y	DSPE	1	1
	40.17	21.41	39.3
	127	C	C317	DSPE	1	1
	41.5	20.33	38.24
	128	H	H17X	DSPE	1	1
	40.74	20.82	37.66
	129	H	H17Y	DSPE	1	1
	41.53	19.4	37.67
	130	C	C318	DSPE	1	1
	42.88	20.96	38.43
	131	H	H18X	DSPE	1	1
	42.85	21.9	39.01
	132	H	H18Y	DSPE	1	1
	43.5	20.33	39.09
	133	H	H18Z	DSPE	1	1
	43.38	21.14	37.45

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

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

