# --------------------------------------------------------------------------
#
# 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 DPPG.gro
#
#---------------------------------------------------------------------------

data_DPPG

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

_entry.id	DPPG

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

_chemical.entry_id	DPPG
_chemical.name_common	'DPPG'

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

_chemical_formula.entry_id	DPPG
_chemical_formula.structural	'C38H75O10P'

###############
## 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	DPPG	1	1
	12.5	32.89	60.2
	2	H	H13A	DPPG	1	1
	12.45	33.86	60.62
	3	H	H13B	DPPG	1	1
	13.52	32.46	60.21
	4	O	OC3	DPPG	1	1
	11.63	32.25	61.15
	5	H	HO3	DPPG	1	1
	12.15	32.33	61.97
	6	C	C12	DPPG	1	1
	12.07	33.44	58.81
	7	H	H12A	DPPG	1	1
	12.99	33.86	58.34
	8	O	OC2	DPPG	1	1
	11.1	34.49	58.85
	9	H	HO2	DPPG	1	1
	11.34	35.09	59.56
	10	C	C11	DPPG	1	1
	11.65	32.29	57.97
	11	H	H11A	DPPG	1	1
	11.4	32.64	56.95
	12	H	H11B	DPPG	1	1
	10.75	31.88	58.51
	13	P	P	DPPG	1	1
	12.5	29.95	57.49
	14	O	O13	DPPG	1	1
	11.16	29.53	57.99
	15	O	O14	DPPG	1	1
	13.62	29.06	57.81
	16	O	O12	DPPG	1	1
	12.78	31.41	57.98
	17	O	O11	DPPG	1	1
	12.45	30.25	55.93
	18	C	C1	DPPG	1	1
	12.35	29.22	54.97
	19	H	HA	DPPG	1	1
	11.74	29.62	54.12
	20	H	HB	DPPG	1	1
	11.81	28.33	55.37
	21	C	C2	DPPG	1	1
	13.73	28.82	54.39
	22	H	HS	DPPG	1	1
	14.35	28.4	55.22
	23	O	O21	DPPG	1	1
	14.34	30	53.85
	24	C	C21	DPPG	1	1
	15.59	29.95	53.46
	25	O	O22	DPPG	1	1
	16.38	29.04	53.64
	26	C	C22	DPPG	1	1
	15.79	31.22	52.61
	27	H	H2R	DPPG	1	1
	16.86	31.31	52.37
	28	H	H2S	DPPG	1	1
	15.48	32.1	53.22
	29	C	C3	DPPG	1	1
	13.56	27.73	53.3
	30	H	HX	DPPG	1	1
	12.93	26.91	53.71
	31	H	HY	DPPG	1	1
	14.55	27.31	53.02
	32	O	O31	DPPG	1	1
	12.89	28.35	52.18
	33	C	C31	DPPG	1	1
	12.77	27.55	51.14
	34	O	O32	DPPG	1	1
	13.14	26.4	51.1
	35	C	C32	DPPG	1	1
	12.02	28.28	50.04
	36	H	H2X	DPPG	1	1
	12.49	28.02	49.07
	37	H	H2Y	DPPG	1	1
	12.15	29.37	50.2
	38	C	C23	DPPG	1	1
	14.92	31.2	51.32
	39	H	H3R	DPPG	1	1
	13.85	31.4	51.58
	40	H	H3S	DPPG	1	1
	14.96	30.19	50.86
	41	C	C24	DPPG	1	1
	15.39	32.24	50.3
	42	H	H4R	DPPG	1	1
	16.49	32.12	50.14
	43	H	H4S	DPPG	1	1
	15.22	33.25	50.71
	44	C	C25	DPPG	1	1
	14.72	32.16	48.93
	45	H	H5R	DPPG	1	1
	15.03	33.04	48.32
	46	H	H5S	DPPG	1	1
	13.61	32.17	49
	47	C	C26	DPPG	1	1
	15.16	30.94	48.14
	48	H	H6R	DPPG	1	1
	14.72	30.03	48.61
	49	H	H6S	DPPG	1	1
	16.27	30.82	48.17
	50	C	C27	DPPG	1	1
	14.7	31.08	46.7
	51	H	H7R	DPPG	1	1
	15.57	31.34	46.04
	52	H	H7S	DPPG	1	1
	13.91	31.85	46.58
	53	C	C28	DPPG	1	1
	14.09	29.82	46.21
	54	H	H8R	DPPG	1	1
	13.96	30.02	45.11
	55	H	H8S	DPPG	1	1
	13.1	29.57	46.62
	56	C	C29	DPPG	1	1
	15.04	28.68	46.41
	57	H	H9R	DPPG	1	1
	14.56	28	47.15
	58	H	H9S	DPPG	1	1
	16.05	28.9	46.81
	59	C	C210	DPPG	1	1
	15.19	28.2	45
	60	H	H10R	DPPG	1	1
	15.82	27.39	45.01
	61	H	H10S	DPPG	1	1
	15.76	28.83	44.31
	62	C	C211	DPPG	1	1
	13.89	27.7	44.45
	63	H	H11R	DPPG	1	1
	13.16	28.43	44.07
	64	H	H11S	DPPG	1	1
	13.32	27.36	45.29
	65	C	C212	DPPG	1	1
	14.24	26.7	43.41
	66	H	H12R	DPPG	1	1
	13.7	25.81	43.2
	67	H	H12S	DPPG	1	1
	14.82	25.81	43.6
	68	C	C213	DPPG	1	1
	14.15	27.4	42.19
	69	H	H13R	DPPG	1	1
	14.92	28.19	42.2
	70	H	H13S	DPPG	1	1
	13.07	27.71	42.12
	71	C	C214	DPPG	1	1
	14.38	26.36	41.27
	72	H	H14R	DPPG	1	1
	13.38	25.86	41.39
	73	H	H14S	DPPG	1	1
	15.2	25.67	41.61
	74	C	C215	DPPG	1	1
	14.52	26.86	39.91
	75	H	H15R	DPPG	1	1
	13.91	27.72	39.65
	76	H	H15S	DPPG	1	1
	13.91	26.12	39.47
	77	C	C216	DPPG	1	1
	15.99	26.98	39.58
	78	H	H16R	DPPG	1	1
	16.31	27.69	40.35
	79	H	H16S	DPPG	1	1
	16.19	27.38	38.57
	80	H	H16T	DPPG	1	1
	16.65	26.11	39.77
	81	C	C33	DPPG	1	1
	10.53	27.88	50.11
	82	H	H3X	DPPG	1	1
	10.15	28.14	51.13
	83	H	H3Y	DPPG	1	1
	10.4	26.78	50.02
	84	C	C34	DPPG	1	1
	9.64	28.59	49.09
	85	H	H4X	DPPG	1	1
	9.79	29.69	49.23
	86	H	H4Y	DPPG	1	1
	8.59	28.34	49.35
	87	C	C35	DPPG	1	1
	9.86	28.26	47.61
	88	H	H5X	DPPG	1	1
	9.75	27.17	47.42
	89	H	H5Y	DPPG	1	1
	10.9	28.54	47.3
	90	C	C36	DPPG	1	1
	8.88	29.06	46.74
	91	H	H6X	DPPG	1	1
	9.01	30.13	47.01
	92	H	H6Y	DPPG	1	1
	7.83	28.79	46.98
	93	C	C37	DPPG	1	1
	9.14	28.93	45.23
	94	H	H7X	DPPG	1	1
	8.6	28.04	44.83
	95	H	H7Y	DPPG	1	1
	10.23	28.78	45.04
	96	C	C38	DPPG	1	1
	8.7	30.18	44.47
	97	H	H8X	DPPG	1	1
	9.06	31.11	44.95
	98	H	H8Y	DPPG	1	1
	7.6	30.21	44.53
	99	C	C39	DPPG	1	1
	9.08	30.12	42.99
	100	H	H9X	DPPG	1	1
	8.53	30.93	42.46
	101	H	H9Y	DPPG	1	1
	8.75	29.13	42.59
	102	C	C310	DPPG	1	1
	10.56	30.2	42.62
	103	H	H10X	DPPG	1	1
	11.01	29.19	42.76
	104	H	H10Y	DPPG	1	1
	11.09	30.92	43.28
	105	C	C311	DPPG	1	1
	10.68	30.64	41.15
	106	H	H11X	DPPG	1	1
	9.98	31.49	40.98
	107	H	H11Y	DPPG	1	1
	10.35	29.81	40.48
	108	C	C312	DPPG	1	1
	12.07	31.15	40.76
	109	H	H12X	DPPG	1	1
	12.3	32.07	41.33
	110	H	H12Y	DPPG	1	1
	12.01	31.41	39.68
	111	C	C313	DPPG	1	1
	13.22	30.15	40.97
	112	H	H13X	DPPG	1	1
	12.76	29.14	40.89
	113	H	H13Y	DPPG	1	1
	13.68	30.27	41.97
	114	C	C314	DPPG	1	1
	14.29	30.24	39.88
	115	H	H14X	DPPG	1	1
	13.69	29.84	39.05
	116	H	H14Y	DPPG	1	1
	15.11	29.52	40
	117	C	C315	DPPG	1	1
	14.88	31.64	39.64
	118	H	H15X	DPPG	1	1
	15.3	31.98	40.61
	119	H	H15Y	DPPG	1	1
	14.06	32.35	39.37
	120	C	C316	DPPG	1	1
	16	31.76	38.57
	121	H	H16X	DPPG	1	1
	16.72	30.92	38.65
	122	H	H16Y	DPPG	1	1
	16.54	32.72	38.65
	123	H	H16Z	DPPG	1	1
	15.62	31.76	37.54

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

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

