# --------------------------------------------------------------------------
#
# 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 DEPE.gro
#
#---------------------------------------------------------------------------

data_DEPE

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

_entry.id	DEPE

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

_chemical.entry_id	DEPE
_chemical.name_common	'DEPE'

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

_chemical_formula.entry_id	DEPE
_chemical_formula.structural	'C49H95NO8P'

###############
## 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	DEPE	1	1
	34.11	6.34	60.8
	2	H	HN1	DEPE	1	1
	34.48	7.27	61.06
	3	H	HN2	DEPE	1	1
	33.09	6.31	60.96
	4	H	HN3	DEPE	1	1
	34.59	5.61	61.41
	5	C	C12	DEPE	1	1
	34.44	6.03	59.37
	6	H	H12A	DEPE	1	1
	35.46	6.43	59.19
	7	H	H12B	DEPE	1	1
	33.72	6.57	58.72
	8	C	C11	DEPE	1	1
	34.45	4.52	59.1
	9	H	H11A	DEPE	1	1
	34.53	4.35	58
	10	H	H11B	DEPE	1	1
	33.51	4.03	59.41
	11	P	P	DEPE	1	1
	35.43	3.02	60.99
	12	O	O13	DEPE	1	1
	35.05	3.98	62.04
	13	O	O14	DEPE	1	1
	34.49	1.91	60.74
	14	O	O12	DEPE	1	1
	35.59	3.94	59.72
	15	O	O11	DEPE	1	1
	36.91	2.53	61.22
	16	C	C1	DEPE	1	1
	37.91	3.48	61.63
	17	H	HA	DEPE	1	1
	38.27	3.21	62.65
	18	H	HB	DEPE	1	1
	37.56	4.53	61.68
	19	C	C2	DEPE	1	1
	39.13	3.46	60.69
	20	H	HS	DEPE	1	1
	39.93	4.12	61.12
	21	O	O21	DEPE	1	1
	38.85	3.89	59.36
	22	C	C21	DEPE	1	1
	38.6	5.18	59.19
	23	O	O22	DEPE	1	1
	38.64	6	60.1
	24	C	C22	DEPE	1	1
	38.23	5.5	57.75
	25	H	H2R	DEPE	1	1
	38.77	6.42	57.43
	26	H	H2S	DEPE	1	1
	37.14	5.69	57.69
	27	C	C3	DEPE	1	1
	39.78	2.07	60.6
	28	H	HX	DEPE	1	1
	40.29	1.95	61.56
	29	H	HY	DEPE	1	1
	40.48	2.2	59.76
	30	O	O31	DEPE	1	1
	38.95	0.93	60.38
	31	C	C31	DEPE	1	1
	38.69	0.74	59.07
	32	O	O32	DEPE	1	1
	39.5	0.9	58.18
	33	C	C32	DEPE	1	1
	37.38	-0.02	59.06
	34	H	H2X	DEPE	1	1
	36.86	0.2	60
	35	H	H2Y	DEPE	1	1
	37.71	-1.03	59
	36	C	C23	DEPE	1	1
	38.56	4.35	56.78
	37	H	H3R	DEPE	1	1
	37.95	4.51	55.86
	38	H	H3S	DEPE	1	1
	38.28	3.35	57.19
	39	C	C24	DEPE	1	1
	40.02	4.37	56.37
	40	H	H4R	DEPE	1	1
	40.64	4.08	57.25
	41	H	H4S	DEPE	1	1
	40.36	5.38	56.06
	42	C	C25	DEPE	1	1
	40.26	3.38	55.23
	43	H	H5R	DEPE	1	1
	39.95	2.37	55.61
	44	H	H5S	DEPE	1	1
	41.34	3.42	55.05
	45	C	C26	DEPE	1	1
	39.63	3.68	53.87
	46	H	H6R	DEPE	1	1
	40.07	4.63	53.49
	47	H	H6S	DEPE	1	1
	38.54	3.81	54.01
	48	C	C27	DEPE	1	1
	39.84	2.51	52.89
	49	H	H7R	DEPE	1	1
	39.25	1.67	53.29
	50	H	H7S	DEPE	1	1
	40.91	2.21	52.93
	51	C	C28	DEPE	1	1
	39.4	2.7	51.42
	52	H	H8R	DEPE	1	1
	40.03	3.51	50.98
	53	H	H8S	DEPE	1	1
	38.33	3.01	51.37
	54	C	C29	DEPE	1	1
	39.56	1.42	50.57
	55	H	H9R	DEPE	1	1
	39.26	0.51	51.13
	56	H	H9S	DEPE	1	1
	40.63	1.28	50.43
	57	C	C210	DEPE	1	1
	38.83	1.37	49.21
	58	H	H10R	DEPE	1	1
	37.77	1.67	49.33
	59	H	H10S	DEPE	1	1
	38.88	0.31	48.86
	60	C	C211	DEPE	1	1
	39.43	2.16	48.05
	61	H	H11R	DEPE	1	1
	40.42	1.75	47.91
	62	H	H11S	DEPE	1	1
	39.5	3.26	48.23
	63	C	C212	DEPE	1	1
	38.96	1.76	46.68
	64	H	H12R	DEPE	1	1
	38.96	0.65	46.58
	65	H	H12S	DEPE	1	1
	39.68	2.16	45.91
	66	C	C213	DEPE	1	1
	37.62	2.34	46.57
	67	H	H13R	DEPE	1	1
	37.13	2.7	47.48
	68	C	C214	DEPE	1	1
	37.05	2.47	45.39
	69	H	H14R	DEPE	1	1
	36.07	2.96	45.37
	70	C	C215	DEPE	1	1
	37.71	2.05	44.08
	71	H	H15R	DEPE	1	1
	36.99	1.47	43.44
	72	H	H15S	DEPE	1	1
	38.62	1.44	44.14
	73	C	C216	DEPE	1	1
	38.06	3.21	43.17
	74	H	H16R	DEPE	1	1
	36.95	3.3	43.15
	75	H	H16S	DEPE	1	1
	38.15	2.99	42.1
	76	C	C217	DEPE	1	1
	38.95	4.54	43.54
	77	H	H17R	DEPE	1	1
	39.95	4.08	43.65
	78	H	H17S	DEPE	1	1
	38.67	4.88	44.56
	79	C	C218	DEPE	1	1
	39.21	5.94	42.64
	80	H	H18R	DEPE	1	1
	39.82	5.68	41.77
	81	H	H18S	DEPE	1	1
	39.65	6.65	43.38
	82	C	C219	DEPE	1	1
	38.17	7.06	42.06
	83	H	H19R	DEPE	1	1
	37.37	7.45	42.73
	84	H	H19S	DEPE	1	1
	37.92	6.26	41.32
	85	C	C220	DEPE	1	1
	37.85	8.01	40.94
	86	H	H20R	DEPE	1	1
	38.05	7.57	39.96
	87	H	H20S	DEPE	1	1
	38.57	8.77	41.26
	88	C	C221	DEPE	1	1
	36.37	8.54	40.97
	89	H	H21R	DEPE	1	1
	36.58	9.61	40.95
	90	H	H21S	DEPE	1	1
	35.75	8.38	41.89
	91	C	C222	DEPE	1	1
	35.47	8.22	39.76
	92	H	H22R	DEPE	1	1
	34.99	7.22	39.77
	93	H	H22S	DEPE	1	1
	34.62	8.93	39.68
	94	H	H22T	DEPE	1	1
	36.1	8.24	38.85
	95	C	C33	DEPE	1	1
	36.62	-0.49	57.86
	96	H	H3X	DEPE	1	1
	35.79	-1.19	58.16
	97	H	H3Y	DEPE	1	1
	37.27	-1.03	57.13
	98	C	C34	DEPE	1	1
	36.06	0.77	57.41
	99	H	H4X	DEPE	1	1
	36.88	1.54	57.43
	100	H	H4Y	DEPE	1	1
	35.28	1.07	58.14
	101	C	C35	DEPE	1	1
	35.56	0.56	56.02
	102	H	H5X	DEPE	1	1
	34.94	-0.36	55.99
	103	H	H5Y	DEPE	1	1
	36.44	0.42	55.36
	104	C	C36	DEPE	1	1
	34.73	1.79	55.67
	105	H	H6X	DEPE	1	1
	35.16	2.67	56.2
	106	H	H6Y	DEPE	1	1
	33.71	1.6	56.1
	107	C	C37	DEPE	1	1
	34.69	2.02	54.16
	108	H	H7X	DEPE	1	1
	34.23	1.1	53.74
	109	H	H7Y	DEPE	1	1
	35.74	2.05	53.77
	110	C	C38	DEPE	1	1
	33.91	3.24	53.62
	111	H	H8X	DEPE	1	1
	32.83	3.1	53.81
	112	H	H8Y	DEPE	1	1
	34.05	3.2	52.52
	113	C	C39	DEPE	1	1
	34.36	4.64	54.08
	114	H	H9X	DEPE	1	1
	34.15	4.74	55.18
	115	H	H9Y	DEPE	1	1
	33.73	5.41	53.58
	116	C	C310	DEPE	1	1
	35.84	4.98	53.83
	117	H	H10X	DEPE	1	1
	36.43	4.16	54.28
	118	H	H10Y	DEPE	1	1
	36.1	5.92	54.38
	119	C	C311	DEPE	1	1
	36.31	5.15	52.36
	120	H	H11X	DEPE	1	1
	35.99	4.26	51.77
	121	H	H11Y	DEPE	1	1
	37.42	5.16	52.37
	122	C	C312	DEPE	1	1
	35.86	6.48	51.7
	123	H	H12X	DEPE	1	1
	36.18	7.29	52.39
	124	H	H12Y	DEPE	1	1
	34.75	6.51	51.71
	125	C	C313	DEPE	1	1
	36.33	6.83	50.3
	126	H	H13X	DEPE	1	1
	37.2	7.52	50.26
	127	C	C314	DEPE	1	1
	35.77	6.39	49.16
	128	H	H14X	DEPE	1	1
	36.18	6.81	48.22
	129	C	C315	DEPE	1	1
	34.56	5.45	49.05
	130	H	H15X	DEPE	1	1
	33.58	5.92	48.99
	131	H	H15Y	DEPE	1	1
	34.49	4.97	50.06
	132	C	C316	DEPE	1	1
	34.47	4.25	48.04
	133	H	H16X	DEPE	1	1
	33.77	3.58	48.54
	134	H	H16Y	DEPE	1	1
	35.5	3.83	48.06
	135	C	C317	DEPE	1	1
	34	4.3	46.51
	136	H	H17X	DEPE	1	1
	34.13	3.43	45.89
	137	H	H17Y	DEPE	1	1
	35	4.6	46.23
	138	C	C318	DEPE	1	1
	32.68	5.08	45.96
	139	H	H18X	DEPE	1	1
	32.98	5.71	46.77
	140	H	H18Y	DEPE	1	1
	31.67	4.89	46.36
	141	C	C319	DEPE	1	1
	32.52	5.99	44.62
	142	H	H19X	DEPE	1	1
	33.29	6.66	44.27
	143	H	H19Y	DEPE	1	1
	32.06	6.94	44.64
	144	C	C320	DEPE	1	1
	32.46	5.43	43.28
	145	H	H20X	DEPE	1	1
	31.42	5.15	43.12
	146	H	H20Y	DEPE	1	1
	33.16	4.58	43.52
	147	C	C321	DEPE	1	1
	33	6.49	42.22
	148	H	H21X	DEPE	1	1
	34.01	6.26	42.32
	149	H	H21Y	DEPE	1	1
	33.03	7.56	42.45
	150	C	C322	DEPE	1	1
	32.51	6.43	40.81
	151	H	H22X	DEPE	1	1
	33.07	6.47	39.85
	152	H	H22Y	DEPE	1	1
	32.94	5.51	40.62
	153	H	H22Z	DEPE	1	1
	31.5	6.02	40.87

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

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

