# --------------------------------------------------------------------------
#
# 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 DOPG.gro
#
#---------------------------------------------------------------------------

data_DOPG

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

_entry.id	DOPG

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

_chemical.entry_id	DOPG
_chemical.name_common	'DOPG'

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

_chemical_formula.entry_id	DOPG
_chemical_formula.structural	'C42H87O10P'

###############
## 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	DOPG	1	1
	18.52	16.64	59.64
	2	H	H13A	DOPG	1	1
	18.33	15.72	60.23
	3	H	H13B	DOPG	1	1
	17.91	17.47	60.06
	4	O	OC3	DOPG	1	1
	18.09	16.42	58.3
	5	H	HO3	DOPG	1	1
	17.89	17.28	57.91
	6	C	C12	DOPG	1	1
	20.03	17.03	59.72
	7	H	H12A	DOPG	1	1
	20.21	17.42	60.74
	8	O	OC2	DOPG	1	1
	20.86	15.88	59.52
	9	H	HO2	DOPG	1	1
	20.49	15.47	58.72
	10	C	C11	DOPG	1	1
	20.44	18.14	58.73
	11	H	H11A	DOPG	1	1
	20.31	17.77	57.69
	12	H	H11B	DOPG	1	1
	21.52	18.37	58.9
	13	P	P	DOPG	1	1
	19.63	20.42	57.83
	14	O	O13	DOPG	1	1
	20.74	20.22	56.87
	15	O	O14	DOPG	1	1
	19.43	21.77	58.42
	16	O	O12	DOPG	1	1
	19.7	19.34	58.98
	17	O	O11	DOPG	1	1
	18.31	19.91	57.2
	18	C	C1	DOPG	1	1
	17.11	19.8	57.96
	19	H	HA	DOPG	1	1
	16.93	20.68	58.62
	20	H	HB	DOPG	1	1
	17.11	18.87	58.56
	21	C	C2	DOPG	1	1
	15.98	19.7	56.97
	22	H	HS	DOPG	1	1
	14.99	19.67	57.46
	23	O	O21	DOPG	1	1
	16.25	18.45	56.29
	24	C	C21	DOPG	1	1
	15.55	17.37	56.46
	25	O	O22	DOPG	1	1
	14.73	17.2	57.35
	26	C	C22	DOPG	1	1
	16.1	16.31	55.46
	27	H	H2R	DOPG	1	1
	15.66	16.56	54.5
	28	H	H2S	DOPG	1	1
	15.69	15.32	55.68
	29	C	C3	DOPG	1	1
	16.05	21.02	56.05
	30	H	HX	DOPG	1	1
	15.86	21.9	56.71
	31	H	HY	DOPG	1	1
	15.18	20.98	55.4
	32	O	O31	DOPG	1	1
	17.2	21.28	55.17
	33	C	C31	DOPG	1	1
	17.18	20.33	54.22
	34	O	O32	DOPG	1	1
	16.41	19.44	54.16
	35	C	C32	DOPG	1	1
	18	20.4	52.99
	36	H	H2X	DOPG	1	1
	18.83	21.12	53.13
	37	H	H2Y	DOPG	1	1
	18.2	19.41	52.55
	38	C	C23	DOPG	1	1
	17.51	16.47	54.84
	39	H	H3R	DOPG	1	1
	18.24	16.1	55.57
	40	H	H3S	DOPG	1	1
	17.68	17.55	54.63
	41	C	C24	DOPG	1	1
	17.63	15.75	53.47
	42	H	H4R	DOPG	1	1
	16.78	16.01	52.79
	43	H	H4S	DOPG	1	1
	17.57	14.66	53.63
	44	C	C25	DOPG	1	1
	18.91	16.15	52.73
	45	H	H5R	DOPG	1	1
	19.79	15.96	53.38
	46	H	H5S	DOPG	1	1
	18.86	17.25	52.53
	47	C	C26	DOPG	1	1
	19.03	15.4	51.4
	48	H	H6R	DOPG	1	1
	18.04	15.47	50.9
	49	H	H6S	DOPG	1	1
	19.22	14.32	51.59
	50	C	C27	DOPG	1	1
	20.12	15.96	50.48
	51	H	H7R	DOPG	1	1
	21.08	15.48	50.77
	52	H	H7S	DOPG	1	1
	20.24	17.06	50.62
	53	C	C28	DOPG	1	1
	19.86	15.66	49
	54	H	H8R	DOPG	1	1
	19.72	14.57	48.87
	55	H	H8S	DOPG	1	1
	20.74	15.95	48.43
	56	C	C29	DOPG	1	1
	18.75	16.44	48.39
	57	H	H9R	DOPG	1	1
	17.89	16.65	49.06
	58	C	C210	DOPG	1	1
	18.63	16.67	47.08
	59	H	H10R	DOPG	1	1
	17.69	17.07	46.71
	60	C	C211	DOPG	1	1
	19.52	16.22	45.96
	61	H	H11R	DOPG	1	1
	18.94	16.08	45.01
	62	H	H11S	DOPG	1	1
	19.97	15.23	46.19
	63	C	C212	DOPG	1	1
	20.58	17.27	45.72
	64	H	H12R	DOPG	1	1
	21.08	17.48	46.69
	65	H	H12S	DOPG	1	1
	20.08	18.19	45.36
	66	C	C213	DOPG	1	1
	21.66	16.74	44.76
	67	H	H13R	DOPG	1	1
	21.71	15.63	44.84
	68	H	H13S	DOPG	1	1
	22.63	17.21	44.99
	69	C	C214	DOPG	1	1
	21.36	17.07	43.33
	70	H	H14R	DOPG	1	1
	20.43	16.46	43.24
	71	H	H14S	DOPG	1	1
	22.06	16.58	42.62
	72	C	C215	DOPG	1	1
	21.34	18.59	43.03
	73	H	H15R	DOPG	1	1
	22.06	19.2	43.59
	74	H	H15S	DOPG	1	1
	20.39	19.01	43.41
	75	C	C216	DOPG	1	1
	21.57	18.87	41.52
	76	H	H16R	DOPG	1	1
	21.16	17.92	41.15
	77	H	H16S	DOPG	1	1
	22.53	18.67	41.05
	78	C	C217	DOPG	1	1
	21.02	20.25	41.03
	79	H	H17R	DOPG	1	1
	21.83	20.95	41.27
	80	H	H17S	DOPG	1	1
	20.18	20.56	41.7
	81	C	C218	DOPG	1	1
	20.6	20.53	39.54
	82	H	H18R	DOPG	1	1
	21.32	20.17	38.8
	83	H	H18S	DOPG	1	1
	20.38	21.61	39.41
	84	H	H18T	DOPG	1	1
	19.66	20.11	39.19
	85	C	C33	DOPG	1	1
	17.11	20.84	51.87
	86	H	H3X	DOPG	1	1
	17.71	21.75	51.7
	87	H	H3Y	DOPG	1	1
	16.64	21.7	52.39
	88	C	C34	DOPG	1	1
	16.2	19.99	50.62
	89	H	H4X	DOPG	1	1
	15.13	20.04	50.39
	90	H	H4Y	DOPG	1	1
	15.38	20.55	50.09
	91	C	C35	DOPG	1	1
	16.19	19.28	49.43
	92	H	H5X	DOPG	1	1
	16.94	18.54	49.64
	93	H	H5Y	DOPG	1	1
	16.27	20.1	48.67
	94	C	C36	DOPG	1	1
	14.88	19.12	48.63
	95	H	H6X	DOPG	1	1
	14.01	18.62	49.09
	96	H	H6Y	DOPG	1	1
	14.38	20.11	48.33
	97	C	C37	DOPG	1	1
	15.82	18.51	47.57
	98	H	H7X	DOPG	1	1
	16.38	19.34	47.08
	99	H	H7Y	DOPG	1	1
	16.6	17.89	47.98
	100	C	C38	DOPG	1	1
	15.07	17.76	46.58
	101	H	H8X	DOPG	1	1
	14.21	17.33	47.01
	102	H	H8Y	DOPG	1	1
	14.76	18.79	46.61
	103	C	C39	DOPG	1	1
	15.69	17.21	45.3
	104	H	H9X	DOPG	1	1
	16.13	16.17	45.6
	105	C	C310	DOPG	1	1
	15.55	17.41	44.08
	106	H	H10X	DOPG	1	1
	15.83	16.61	43.37
	107	C	C311	DOPG	1	1
	14.95	18.55	43.28
	108	H	H11X	DOPG	1	1
	14.53	18.04	42.4
	109	H	H11Y	DOPG	1	1
	13.95	18.77	43.57
	110	C	C312	DOPG	1	1
	15.39	20	43
	111	H	H12X	DOPG	1	1
	14.5	20.57	42.7
	112	H	H12Y	DOPG	1	1
	15.95	20.67	43.67
	113	C	C313	DOPG	1	1
	16.18	19.84	41.92
	114	H	H13X	DOPG	1	1
	17.09	20.46	42.09
	115	H	H13Y	DOPG	1	1
	16.62	18.95	42.24
	116	C	C314	DOPG	1	1
	15.06	19.7	40.86
	117	H	H14X	DOPG	1	1
	15.33	18.71	40.45
	118	H	H14Y	DOPG	1	1
	14.03	19.44	41.16
	119	C	C315	DOPG	1	1
	14.75	20.98	40.07
	120	H	H15X	DOPG	1	1
	15.33	21.65	40.73
	121	H	H15Y	DOPG	1	1
	13.7	21.21	40.26
	122	C	C316	DOPG	1	1
	14.96	21.38	38.59
	123	H	H16X	DOPG	1	1
	15.92	21.86	38.67
	124	H	H16Y	DOPG	1	1
	15.67	21.52	37.76
	125	C	C317	DOPG	1	1
	13.89	21.24	37.58
	126	H	H17X	DOPG	1	1
	13.12	21.86	38.06
	127	H	H17Y	DOPG	1	1
	13.69	20.15	37.64
	128	C	C318	DOPG	1	1
	14.13	21.63	36.11
	129	H	H18X	DOPG	1	1
	14.92	22.35	35.87
	130	H	H18Y	DOPG	1	1
	14.47	20.81	35.49
	131	H	H18Z	DOPG	1	1
	13.2	21.95	35.65

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

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

