# --------------------------------------------------------------------------
#
# 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 DGPC.gro
#
#---------------------------------------------------------------------------

data_DGPC

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

_entry.id	DGPC

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

_chemical.entry_id	DGPC
_chemical.name_common	'DGPC'

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

_chemical_formula.entry_id	DGPC
_chemical_formula.structural	'C48H99NO8P'

###############
## 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	DGPC	1	1
	34.53	32.57	62.61
	2	C	C13	DGPC	1	1
	33.45	31.84	61.88
	3	H	H13A	DGPC	1	1
	32.5	31.95	62.4
	4	H	H13B	DGPC	1	1
	33.36	32.23	60.87
	5	H	H13C	DGPC	1	1
	33.63	30.78	61.83
	6	C	C14	DGPC	1	1
	34.55	32.15	64.03
	7	H	H14A	DGPC	1	1
	34.89	31.13	64.16
	8	H	H14B	DGPC	1	1
	35.21	32.79	64.61
	9	H	H14C	DGPC	1	1
	33.57	32.27	64.49
	10	C	C15	DGPC	1	1
	34.17	34.02	62.6
	11	H	H15A	DGPC	1	1
	33.16	34.14	62.99
	12	H	H15B	DGPC	1	1
	34.84	34.58	63.24
	13	H	H15C	DGPC	1	1
	34.23	34.39	61.58
	14	C	C12	DGPC	1	1
	35.9	32.37	62
	15	H	H12A	DGPC	1	1
	36.3	31.42	62.32
	16	H	H12B	DGPC	1	1
	36.56	33.14	62.38
	17	C	C11	DGPC	1	1
	35.97	32.38	60.46
	18	H	H11A	DGPC	1	1
	35.42	31.5	60.07
	19	H	H11B	DGPC	1	1
	37.04	32.26	60.19
	20	P	P	DGPC	1	1
	35.47	33.66	58.31
	21	O	O13	DGPC	1	1
	36.62	32.86	57.82
	22	O	O14	DGPC	1	1
	34.11	33.36	57.83
	23	O	O12	DGPC	1	1
	35.45	33.58	59.91
	24	O	O11	DGPC	1	1
	35.81	35.19	58.07
	25	C	C1	DGPC	1	1
	36.22	35.96	59.19
	26	H	HA	DGPC	1	1
	36.89	35.38	59.88
	27	H	HB	DGPC	1	1
	35.36	36.41	59.71
	28	C	C2	DGPC	1	1
	37.13	37.09	58.82
	29	H	HS	DGPC	1	1
	37.42	37.77	59.64
	30	O	O21	DGPC	1	1
	36.71	37.93	57.72
	31	C	C21	DGPC	1	1
	35.51	38.31	57.6
	32	O	O22	DGPC	1	1
	34.71	38.51	58.51
	33	C	C22	DGPC	1	1
	35.32	38.73	56.16
	34	H	H2R	DGPC	1	1
	36.24	39.09	55.67
	35	H	H2S	DGPC	1	1
	34.65	39.62	56.21
	36	C	C3	DGPC	1	1
	38.49	36.41	58.53
	37	H	HX	DGPC	1	1
	39.15	36.38	59.41
	38	H	HY	DGPC	1	1
	38.7	37.3	57.94
	39	O	O31	DGPC	1	1
	38.67	35.2	57.75
	40	C	C31	DGPC	1	1
	38.21	35.48	56.54
	41	O	O32	DGPC	1	1
	37.64	36.45	56.23
	42	C	C32	DGPC	1	1
	38.43	34.59	55.45
	43	H	H2X	DGPC	1	1
	37.55	33.95	55.32
	44	H	H2Y	DGPC	1	1
	39.39	34.27	55.96
	45	C	C23	DGPC	1	1
	34.69	37.55	55.42
	46	H	H3R	DGPC	1	1
	34.66	37.97	54.39
	47	H	H3S	DGPC	1	1
	33.7	37.25	55.86
	48	C	C24	DGPC	1	1
	35.42	36.33	54.95
	49	H	H4R	DGPC	1	1
	35.69	35.67	55.8
	50	H	H4S	DGPC	1	1
	36.32	36.76	54.45
	51	C	C25	DGPC	1	1
	34.73	35.51	53.87
	52	H	H5R	DGPC	1	1
	35.53	35.2	53.18
	53	H	H5S	DGPC	1	1
	34.04	36.18	53.31
	54	C	C26	DGPC	1	1
	33.97	34.27	54.37
	55	H	H6R	DGPC	1	1
	33.37	34.53	55.27
	56	H	H6S	DGPC	1	1
	34.67	33.47	54.68
	57	C	C27	DGPC	1	1
	33	33.75	53.29
	58	H	H7R	DGPC	1	1
	32.32	34.59	53.05
	59	H	H7S	DGPC	1	1
	32.35	32.97	53.7
	60	C	C28	DGPC	1	1
	33.7	33.2	52.03
	61	H	H8R	DGPC	1	1
	33.87	32.11	52.19
	62	H	H8S	DGPC	1	1
	34.7	33.66	51.89
	63	C	C29	DGPC	1	1
	32.85	33.39	50.77
	64	H	H9R	DGPC	1	1
	32.69	34.48	50.57
	65	H	H9S	DGPC	1	1
	31.86	32.95	51.03
	66	C	C210	DGPC	1	1
	33.37	32.7	49.49
	67	H	H10R	DGPC	1	1
	33.65	31.66	49.72
	68	H	H10S	DGPC	1	1
	34.28	33.21	49.1
	69	C	C211	DGPC	1	1
	32.19	32.78	48.54
	70	H	H11R	DGPC	1	1
	31.42	32.01	48.69
	71	C	C212	DGPC	1	1
	32.07	33.64	47.52
	72	H	H12R	DGPC	1	1
	31.17	33.66	46.88
	73	C	C213	DGPC	1	1
	33.13	34.63	47.2
	74	H	H13R	DGPC	1	1
	33.64	34.99	48.12
	75	H	H13S	DGPC	1	1
	32.75	35.56	46.72
	76	C	C214	DGPC	1	1
	34.05	33.79	46.27
	77	H	H14R	DGPC	1	1
	34.04	32.71	46.4
	78	H	H14S	DGPC	1	1
	35.07	33.79	46.6
	79	C	C215	DGPC	1	1
	33.93	34.2	44.79
	80	H	H15R	DGPC	1	1
	34	35.31	44.7
	81	H	H15S	DGPC	1	1
	32.95	33.93	44.4
	82	C	C216	DGPC	1	1
	34.98	33.63	43.87
	83	H	H16R	DGPC	1	1
	35.84	33.14	44.38
	84	H	H16S	DGPC	1	1
	35.26	34.32	43.06
	85	C	C217	DGPC	1	1
	34.84	32.46	43.1
	86	H	H17R	DGPC	1	1
	33.83	32.48	42.7
	87	H	H17S	DGPC	1	1
	35.04	31.62	43.8
	88	C	C218	DGPC	1	1
	35.93	32.49	42
	89	H	H18R	DGPC	1	1
	36.77	32.19	42.55
	90	H	H18S	DGPC	1	1
	35.9	33.41	41.44
	91	C	C219	DGPC	1	1
	36.22	31.33	41.11
	92	H	H19R	DGPC	1	1
	35.29	31.54	40.55
	93	H	H19S	DGPC	1	1
	36.42	30.53	41.85
	94	C	C220	DGPC	1	1
	37.09	30.89	40.04
	95	H	H20R	DGPC	1	1
	37.95	31.39	40.49
	96	H	H20S	DGPC	1	1
	37.08	29.78	39.99
	97	H	H20T	DGPC	1	1
	36.82	31.19	39.02
	98	C	C33	DGPC	1	1
	38.97	34.86	54.02
	99	H	H3X	DGPC	1	1
	38.93	33.83	53.62
	100	H	H3Y	DGPC	1	1
	39.97	35.21	54.32
	101	C	C34	DGPC	1	1
	38.33	35.25	52.68
	102	H	H4X	DGPC	1	1
	37.99	36.28	52.62
	103	H	H4Y	DGPC	1	1
	37.45	34.62	52.61
	104	C	C35	DGPC	1	1
	39.19	35.13	51.4
	105	H	H5X	DGPC	1	1
	39.41	34.19	50.85
	106	H	H5Y	DGPC	1	1
	40.01	35.55	51.79
	107	C	C36	DGPC	1	1
	39.13	36.09	50.29
	108	H	H6X	DGPC	1	1
	39.7	36.06	49.33
	109	H	H6Y	DGPC	1	1
	39.3	37.16	50.68
	110	C	C37	DGPC	1	1
	37.91	35.43	49.9
	111	H	H7X	DGPC	1	1
	37.27	34.87	50.69
	112	H	H7Y	DGPC	1	1
	37.79	34.86	48.99
	113	C	C38	DGPC	1	1
	37.68	36.81	49.81
	114	H	H8X	DGPC	1	1
	37.25	37.1	50.83
	115	H	H8Y	DGPC	1	1
	36.67	36.29	49.89
	116	C	C39	DGPC	1	1
	38.07	38.1	48.37
	117	H	H9X	DGPC	1	1
	38.56	37.58	47.62
	118	H	H9Y	DGPC	1	1
	38.74	38.63	49.04
	119	C	C310	DGPC	1	1
	36.88	39.38	47.37
	120	H	H10X	DGPC	1	1
	37.37	40.21	46.85
	121	H	H10Y	DGPC	1	1
	36.34	40.08	48
	122	C	C311	DGPC	1	1
	35.3	39.19	46.81
	123	H	H11X	DGPC	1	1
	34.38	38.83	47.37
	124	C	C312	DGPC	1	1
	35.01	38.72	45.64
	125	H	H12X	DGPC	1	1
	34.21	37.92	45.63
	126	C	C313	DGPC	1	1
	36.11	38.42	44.7
	127	H	H13X	DGPC	1	1
	36.62	37.61	44.3
	128	H	H13Y	DGPC	1	1
	36.85	39.24	44.74
	129	C	C314	DGPC	1	1
	35.29	37.89	43.49
	130	H	H14X	DGPC	1	1
	35.95	38.46	42.79
	131	H	H14Y	DGPC	1	1
	34.21	37.98	43.71
	132	C	C315	DGPC	1	1
	35.11	36.81	42.36
	133	H	H15X	DGPC	1	1
	34.75	36.01	42.95
	134	H	H15Y	DGPC	1	1
	36.05	36.66	41.83
	135	C	C316	DGPC	1	1
	34.06	36.97	41.19
	136	H	H16X	DGPC	1	1
	34.45	37.39	40.23
	137	H	H16Y	DGPC	1	1
	33.11	37.4	41.52
	138	C	C317	DGPC	1	1
	33.11	35.99	40.63
	139	H	H17X	DGPC	1	1
	32.36	36.46	39.93
	140	H	H17Y	DGPC	1	1
	32.66	35.43	41.46
	141	C	C318	DGPC	1	1
	33.9	35.27	39.69
	142	H	H18X	DGPC	1	1
	34.6	34.87	40.46
	143	H	H18Y	DGPC	1	1
	34.52	35.93	39.02
	144	C	C319	DGPC	1	1
	32.84	34.37	39
	145	H	H19X	DGPC	1	1
	32.15	35.1	38.56
	146	H	H19Y	DGPC	1	1
	32.48	33.82	39.9
	147	C	C320	DGPC	1	1
	32.92	33.42	37.76
	148	H	H20X	DGPC	1	1
	33.18	32.44	37.5
	149	H	H20Y	DGPC	1	1
	33.59	33.8	36.96
	150	H	H20Z	DGPC	1	1
	33.43	32.72	38.47

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

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

