# --------------------------------------------------------------------------
#
# 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 DGPG.gro
#
#---------------------------------------------------------------------------

data_DGPG

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

_entry.id	DGPG

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

_chemical.entry_id	DGPG
_chemical.name_common	'DGPG'

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

_chemical_formula.entry_id	DGPG
_chemical_formula.structural	'C46H89O10P'

###############
## 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	C	C13	DGPG	1	1
	11.73	4.16	62.42
	2	H	H13A	DGPG	1	1
	11.62	3.66	63.4
	3	H	H13B	DGPG	1	1
	12.39	3.53	61.78
	4	O	OC3	DGPG	1	1
	10.46	4.28	61.79
	5	H	HO3	DGPG	1	1
	10.72	4.55	60.89
	6	C	C12	DGPG	1	1
	12.29	5.59	62.59
	7	H	H12A	DGPG	1	1
	11.66	6.12	63.33
	8	O	OC2	DGPG	1	1
	13.59	5.6	63.16
	9	H	HO2	DGPG	1	1
	13.93	6.45	62.86
	10	C	C11	DGPG	1	1
	12.27	6.45	61.3
	11	H	H11A	DGPG	1	1
	12.98	7.3	61.43
	12	H	H11B	DGPG	1	1
	11.26	6.89	61.19
	13	P	P	DGPG	1	1
	13.04	6.48	58.85
	14	O	O13	DGPG	1	1
	12.43	7.82	58.87
	15	O	O14	DGPG	1	1
	14.53	6.39	58.78
	16	O	O12	DGPG	1	1
	12.57	5.68	60.14
	17	O	O11	DGPG	1	1
	12.35	5.63	57.75
	18	C	C1	DGPG	1	1
	11.09	4.99	58.05
	19	H	HA	DGPG	1	1
	10.42	5.54	58.75
	20	H	HB	DGPG	1	1
	11.32	3.99	58.49
	21	C	C2	DGPG	1	1
	10.33	4.78	56.74
	22	H	HS	DGPG	1	1
	9.58	3.94	56.9
	23	O	O21	DGPG	1	1
	11.28	4.69	55.69
	24	C	C21	DGPG	1	1
	11.58	3.52	55.67
	25	O	O22	DGPG	1	1
	11.11	2.65	56.4
	26	C	C22	DGPG	1	1
	12.33	3.45	54.34
	27	H	H2R	DGPG	1	1
	13.24	2.85	54.44
	28	H	H2S	DGPG	1	1
	12.97	4.33	54.2
	29	C	C3	DGPG	1	1
	9.41	5.77	56.15
	30	H	HX	DGPG	1	1
	10.04	6.68	56
	31	H	HY	DGPG	1	1
	8.64	5.86	56.94
	32	O	O31	DGPG	1	1
	8.99	5.23	54.84
	33	C	C31	DGPG	1	1
	7.73	5.49	54.6
	34	O	O32	DGPG	1	1
	6.93	5.84	55.44
	35	C	C32	DGPG	1	1
	7.32	5.4	53.13
	36	H	H2X	DGPG	1	1
	6.23	5.21	53.25
	37	H	H2Y	DGPG	1	1
	7.86	4.58	52.65
	38	C	C23	DGPG	1	1
	11.28	3.11	53.15
	39	H	H3R	DGPG	1	1
	12.01	3.41	52.42
	40	H	H3S	DGPG	1	1
	10.52	3.88	53.1
	41	C	C24	DGPG	1	1
	10.5	1.74	52.68
	42	H	H4R	DGPG	1	1
	10.02	1.26	53.47
	43	H	H4S	DGPG	1	1
	10.91	0.71	52.64
	44	C	C25	DGPG	1	1
	9.78	1.7	51.31
	45	H	H5R	DGPG	1	1
	9.26	2.65	51.29
	46	H	H5S	DGPG	1	1
	9.1	0.8	51.27
	47	C	C26	DGPG	1	1
	10.58	1.47	50.04
	48	H	H6R	DGPG	1	1
	10.82	0.4	50.11
	49	H	H6S	DGPG	1	1
	11.44	2.16	49.97
	50	C	C27	DGPG	1	1
	9.91	1.51	48.73
	51	H	H7R	DGPG	1	1
	9.16	0.69	48.72
	52	H	H7S	DGPG	1	1
	10.67	1.31	47.93
	53	C	C28	DGPG	1	1
	9.28	2.87	48.66
	54	H	H8R	DGPG	1	1
	10.06	3.64	48.79
	55	H	H8S	DGPG	1	1
	8.55	2.92	49.48
	56	C	C29	DGPG	1	1
	8.52	3.04	47.39
	57	H	H9R	DGPG	1	1
	7.82	2.16	47.37
	58	H	H9S	DGPG	1	1
	9.25	3	46.53
	59	C	C210	DGPG	1	1
	7.61	4.22	47.31
	60	H	H10R	DGPG	1	1
	7.19	4.38	48.32
	61	H	H10S	DGPG	1	1
	6.79	3.89	46.63
	62	C	C211	DGPG	1	1
	8.4	5.37	46.76
	63	H	H11R	DGPG	1	1
	8.97	5.95	47.5
	64	C	C212	DGPG	1	1
	8.49	5.67	45.45
	65	H	H12R	DGPG	1	1
	9.1	6.53	45.15
	66	C	C213	DGPG	1	1
	7.82	4.92	44.32
	67	H	H13R	DGPG	1	1
	7.17	5.62	43.75
	68	H	H13S	DGPG	1	1
	7.16	4.09	44.66
	69	C	C214	DGPG	1	1
	8.83	4.28	43.35
	70	H	H14R	DGPG	1	1
	9.27	3.36	43.79
	71	H	H14S	DGPG	1	1
	9.64	5.01	43.16
	72	C	C215	DGPG	1	1
	8.23	3.97	41.98
	73	H	H15R	DGPG	1	1
	7.77	4.91	41.57
	74	H	H15S	DGPG	1	1
	7.44	3.19	42.04
	75	C	C216	DGPG	1	1
	9.27	3.53	40.96
	76	H	H16R	DGPG	1	1
	10.13	4.24	40.88
	77	H	H16S	DGPG	1	1
	8.72	3.51	40.01
	78	C	C217	DGPG	1	1
	9.8	2.12	41.13
	79	H	H17R	DGPG	1	1
	8.93	1.44	40.98
	80	H	H17S	DGPG	1	1
	10.23	1.96	42.13
	81	C	C218	DGPG	1	1
	10.74	1.88	39.96
	82	H	H18R	DGPG	1	1
	11.42	2.73	39.75
	83	H	H18S	DGPG	1	1
	9.98	1.65	39.18
	84	C	C219	DGPG	1	1
	11.54	0.66	39.79
	85	H	H19R	DGPG	1	1
	10.86	-0.13	40.07
	86	H	H19S	DGPG	1	1
	12.5	0.73	40.31
	87	C	C220	DGPG	1	1
	11.83	0.23	38.41
	88	H	H20R	DGPG	1	1
	10.98	-0.16	37.8
	89	H	H20S	DGPG	1	1
	12.65	0.66	37.86
	90	H	H20T	DGPG	1	1
	12.44	-0.61	38.57
	91	C	C33	DGPG	1	1
	7.5	6.48	52.03
	92	H	H3X	DGPG	1	1
	7.14	7.47	52.29
	93	H	H3Y	DGPG	1	1
	6.75	6.21	51.25
	94	C	C34	DGPG	1	1
	8.88	6.42	51.33
	95	H	H4X	DGPG	1	1
	8.86	7.11	50.47
	96	H	H4Y	DGPG	1	1
	8.98	5.38	50.92
	97	C	C35	DGPG	1	1
	10.14	6.72	52.17
	98	H	H5X	DGPG	1	1
	10.3	5.94	52.94
	99	H	H5Y	DGPG	1	1
	10.05	7.67	52.71
	100	C	C36	DGPG	1	1
	11.41	6.85	51.3
	101	H	H6X	DGPG	1	1
	12.19	7.4	51.87
	102	H	H6Y	DGPG	1	1
	11.17	7.45	50.41
	103	C	C37	DGPG	1	1
	11.96	5.48	50.92
	104	H	H7X	DGPG	1	1
	11.12	4.77	50.72
	105	H	H7Y	DGPG	1	1
	12.52	5.13	51.82
	106	C	C38	DGPG	1	1
	12.93	5.4	49.73
	107	H	H8X	DGPG	1	1
	13.14	4.31	49.6
	108	H	H8Y	DGPG	1	1
	13.89	5.9	50.01
	109	C	C39	DGPG	1	1
	12.4	6.02	48.42
	110	H	H9X	DGPG	1	1
	12.2	7.1	48.59
	111	H	H9Y	DGPG	1	1
	11.43	5.52	48.16
	112	C	C310	DGPG	1	1
	13.32	5.93	47.19
	113	H	H10X	DGPG	1	1
	14.28	6.46	47.39
	114	H	H10Y	DGPG	1	1
	12.86	6.38	46.29
	115	C	C311	DGPG	1	1
	13.6	4.48	47.01
	116	H	H11X	DGPG	1	1
	14.15	4.15	47.87
	117	C	C312	DGPG	1	1
	13.11	3.54	46.21
	118	H	H12X	DGPG	1	1
	13.6	2.55	46.18
	119	C	C313	DGPG	1	1
	12.01	3.81	45.24
	120	H	H13X	DGPG	1	1
	11.32	4.54	45.7
	121	H	H13Y	DGPG	1	1
	11.46	2.88	45.1
	122	C	C314	DGPG	1	1
	12.4	4.35	43.87
	123	H	H14X	DGPG	1	1
	13.19	5.12	43.99
	124	H	H14Y	DGPG	1	1
	11.56	4.9	43.41
	125	C	C315	DGPG	1	1
	12.8	3.22	42.93
	126	H	H15X	DGPG	1	1
	11.98	2.53	42.72
	127	H	H15Y	DGPG	1	1
	13.53	2.6	43.49
	128	C	C316	DGPG	1	1
	13.34	3.81	41.62
	129	H	H16X	DGPG	1	1
	13.71	4.84	41.79
	130	H	H16Y	DGPG	1	1
	12.48	3.98	40.94
	131	C	C317	DGPG	1	1
	14.39	3.01	40.8
	132	H	H17X	DGPG	1	1
	14.74	3.84	40.13
	133	H	H17Y	DGPG	1	1
	13.86	2.13	40.4
	134	C	C318	DGPG	1	1
	15.79	2.43	41
	135	H	H18X	DGPG	1	1
	15.69	1.68	41.82
	136	H	H18Y	DGPG	1	1
	16.57	3.2	41.17
	137	C	C319	DGPG	1	1
	16.47	1.6	40.01
	138	H	H19X	DGPG	1	1
	17.34	1.54	40.68
	139	H	H19Y	DGPG	1	1
	16.88	2.04	39.09
	140	C	C320	DGPG	1	1
	15.72	0.34	39.76
	141	H	H20X	DGPG	1	1
	14.85	0.59	39.14
	142	H	H20Y	DGPG	1	1
	16.31	-0.42	39.22
	143	H	H20Z	DGPG	1	1
	15.38	-0.06	40.74

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

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

