# --------------------------------------------------------------------------
#
# 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 DPPE.gro
#
#---------------------------------------------------------------------------

data_DPPE

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

_entry.id	DPPE

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

_chemical.entry_id	DPPE
_chemical.name_common	'DPPE'

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

_chemical_formula.entry_id	DPPE
_chemical_formula.structural	'C37H75NO8P'

###############
## 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	DPPE	1	1
	32.14	40.43	60.33
	2	H	HN1	DPPE	1	1
	32.94	40.49	60.97
	3	H	HN2	DPPE	1	1
	32.43	40.43	59.33
	4	H	HN3	DPPE	1	1
	31.49	41.23	60.45
	5	C	C12	DPPE	1	1
	31.41	39.15	60.57
	6	H	H12A	DPPE	1	1
	31.21	39.04	61.66
	7	H	H12B	DPPE	1	1
	32.11	38.38	60.21
	8	C	C11	DPPE	1	1
	30.08	39.11	59.81
	9	H	H11A	DPPE	1	1
	29.42	39.95	60.14
	10	H	H11B	DPPE	1	1
	29.57	38.16	60.06
	11	P	P	DPPE	1	1
	30.01	40.35	57.49
	12	O	O13	DPPE	1	1
	30.68	41.5	58.15
	13	O	O14	DPPE	1	1
	28.54	40.36	57.33
	14	O	O11	DPPE	1	1
	30.74	40	56.15
	15	O	O12	DPPE	1	1
	30.35	39.1	58.41
	16	C	C1	DPPE	1	1
	32.05	40.47	55.88
	17	H	HA	DPPE	1	1
	32.75	39.85	56.47
	18	H	HB	DPPE	1	1
	32.2	41.54	56.18
	19	C	C2	DPPE	1	1
	32.31	40.37	54.35
	20	H	HS	DPPE	1	1
	33.33	40.79	54.15
	21	O	O21	DPPE	1	1
	31.32	41	53.56
	22	C	C21	DPPE	1	1
	31.32	42.28	53.46
	23	O	O22	DPPE	1	1
	32.14	43.07	53.9
	24	C	C22	DPPE	1	1
	30.08	42.61	52.61
	25	H	H2R	DPPE	1	1
	29.28	42.9	53.32
	26	H	H2S	DPPE	1	1
	29.75	41.67	52.1
	27	C	C3	DPPE	1	1
	32.28	38.93	53.85
	28	H	HX	DPPE	1	1
	31.39	38.34	54.16
	29	H	HY	DPPE	1	1
	32.96	38.46	54.47
	30	O	O31	DPPE	1	1
	32.72	38.77	52.48
	31	C	C31	DPPE	1	1
	31.71	38.4	51.7
	32	O	O32	DPPE	1	1
	30.57	38.19	52.08
	33	C	C32	DPPE	1	1
	32.19	38.21	50.27
	34	H	H2X	DPPE	1	1
	33.11	37.58	50.3
	35	H	H2Y	DPPE	1	1
	32.46	39.18	49.82
	36	C	C23	DPPE	1	1
	30.29	43.71	51.56
	37	H	H3R	DPPE	1	1
	30.8	44.59	52.03
	38	H	H3S	DPPE	1	1
	29.27	44.03	51.25
	39	C	C24	DPPE	1	1
	31.05	43.18	50.33
	40	H	H4R	DPPE	1	1
	30.46	42.31	49.94
	41	H	H4S	DPPE	1	1
	32.04	42.81	50.68
	42	C	C25	DPPE	1	1
	31.33	44.15	49.16
	43	H	H5R	DPPE	1	1
	32.34	44.6	49.29
	44	H	H5S	DPPE	1	1
	30.7	45.03	49.15
	45	C	C26	DPPE	1	1
	31.09	43.53	47.77
	46	H	H6R	DPPE	1	1
	30.02	43.21	47.68
	47	H	H6S	DPPE	1	1
	31.75	42.65	47.66
	48	C	C27	DPPE	1	1
	31.27	44.48	46.59
	49	H	H7R	DPPE	1	1
	30.52	45.3	46.65
	50	H	H7S	DPPE	1	1
	31.12	43.94	45.63
	51	C	C28	DPPE	1	1
	32.62	45.14	46.51
	52	H	H8R	DPPE	1	1
	32.76	45.74	47.42
	53	H	H8S	DPPE	1	1
	32.55	45.82	45.63
	54	C	C29	DPPE	1	1
	33.84	44.26	46.3
	55	H	H9R	DPPE	1	1
	33.99	43.51	47.11
	56	H	H9S	DPPE	1	1
	34.76	44.89	46.29
	57	C	C210	DPPE	1	1
	33.78	43.56	44.96
	58	H	H10R	DPPE	1	1
	33.43	44.26	44.17
	59	H	H10S	DPPE	1	1
	33.01	42.76	45.03
	60	C	C211	DPPE	1	1
	35.18	43.1	44.61
	61	H	H11R	DPPE	1	1
	35.68	42.59	45.47
	62	H	H11S	DPPE	1	1
	35.75	43.98	44.42
	63	C	C212	DPPE	1	1
	35.24	42.29	43.38
	64	H	H12R	DPPE	1	1
	36.26	42.17	42.92
	65	H	H12S	DPPE	1	1
	34.53	42.58	42.58
	66	C	C213	DPPE	1	1
	34.75	41.03	43.93
	67	H	H13R	DPPE	1	1
	33.85	41.09	44.55
	68	H	H13S	DPPE	1	1
	35.6	40.74	44.59
	69	C	C214	DPPE	1	1
	34.51	40.26	42.73
	70	H	H14R	DPPE	1	1
	33.88	39.34	42.76
	71	H	H14S	DPPE	1	1
	35.55	40.16	42.33
	72	C	C215	DPPE	1	1
	33.47	40.55	41.78
	73	H	H15R	DPPE	1	1
	33.55	41.42	41.18
	74	H	H15S	DPPE	1	1
	32.49	40.42	42.38
	75	C	C216	DPPE	1	1
	33.97	39.65	40.68
	76	H	H16R	DPPE	1	1
	33.54	39.35	39.75
	77	H	H16S	DPPE	1	1
	33.15	38.98	40.81
	78	H	H16T	DPPE	1	1
	34.95	39.11	40.92
	79	C	C33	DPPE	1	1
	31.11	37.47	49.43
	80	H	H3X	DPPE	1	1
	30.6	36.69	50.03
	81	H	H3Y	DPPE	1	1
	31.65	36.93	48.62
	82	C	C34	DPPE	1	1
	30.08	38.4	48.77
	83	H	H4X	DPPE	1	1
	30.53	39.37	48.49
	84	H	H4Y	DPPE	1	1
	29.26	38.61	49.49
	85	C	C35	DPPE	1	1
	29.46	37.78	47.5
	86	H	H5X	DPPE	1	1
	28.56	38.36	47.2
	87	H	H5Y	DPPE	1	1
	29.11	36.75	47.77
	88	C	C36	DPPE	1	1
	30.43	37.65	46.31
	89	H	H6X	DPPE	1	1
	29.88	37.18	45.46
	90	H	H6Y	DPPE	1	1
	31.22	36.93	46.6
	91	C	C37	DPPE	1	1
	31.2	38.9	45.81
	92	H	H7X	DPPE	1	1
	31.63	38.63	44.81
	93	H	H7Y	DPPE	1	1
	32.05	39.1	46.49
	94	C	C38	DPPE	1	1
	30.41	40.2	45.63
	95	H	H8X	DPPE	1	1
	31.09	41.05	45.42
	96	H	H8Y	DPPE	1	1
	29.91	40.45	46.59
	97	C	C39	DPPE	1	1
	29.46	40.14	44.43
	98	H	H9X	DPPE	1	1
	29.92	40.41	43.47
	99	H	H9Y	DPPE	1	1
	29.02	39.11	44.37
	100	C	C310	DPPE	1	1
	28.3	41.06	44.66
	101	H	H10X	DPPE	1	1
	28.2	40.78	45.69
	102	H	H10Y	DPPE	1	1
	27.44	40.69	44.09
	103	C	C311	DPPE	1	1
	28.43	42.58	44.68
	104	H	H11X	DPPE	1	1
	29.33	42.94	45.19
	105	H	H11Y	DPPE	1	1
	27.59	43	45.3
	106	C	C312	DPPE	1	1
	28.17	43.13	43.3
	107	H	H12X	DPPE	1	1
	27.55	44.05	43.34
	108	H	H12Y	DPPE	1	1
	27.59	42.38	42.71
	109	C	C313	DPPE	1	1
	29.42	43.35	42.51
	110	H	H13X	DPPE	1	1
	30	42.4	42.46
	111	H	H13Y	DPPE	1	1
	30.1	44.13	42.93
	112	C	C314	DPPE	1	1
	28.98	43.69	41.12
	113	H	H14X	DPPE	1	1
	28.62	44.74	41.02
	114	H	H14Y	DPPE	1	1
	28.18	43.03	40.72
	115	C	C315	DPPE	1	1
	30.16	43.44	40.29
	116	H	H15X	DPPE	1	1
	30.76	42.52	40.38
	117	H	H15Y	DPPE	1	1
	30.81	44.26	40.62
	118	C	C316	DPPE	1	1
	29.72	43.55	38.92
	119	H	H16X	DPPE	1	1
	30.64	43.36	38.34
	120	H	H16Y	DPPE	1	1
	29.33	44.6	38.78
	121	H	H16Z	DPPE	1	1
	28.98	42.86	38.49

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

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

