# --------------------------------------------------------------------------
#
# 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 DOPC.gro
#
#---------------------------------------------------------------------------

data_DOPC

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

_entry.id	DOPC

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

_chemical.entry_id	DOPC
_chemical.name_common	'DOPC'

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

_chemical_formula.entry_id	DOPC
_chemical_formula.structural	'C44H89NO8P'

###############
## 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	DOPC	1	1
	11.22	11.91	59.72
	2	C	C12	DOPC	1	1
	12.47	12.78	59.6
	3	H	H12A	DOPC	1	1
	13.03	12.81	60.52
	4	H	H12B	DOPC	1	1
	12.17	13.8	59.42
	5	C	C13	DOPC	1	1
	10.4	12.03	58.48
	6	H	H13A	DOPC	1	1
	11.03	11.89	57.61
	7	H	H13B	DOPC	1	1
	9.64	11.26	58.48
	8	H	H13C	DOPC	1	1
	9.93	13	58.45
	9	C	C14	DOPC	1	1
	10.34	12.35	60.83
	10	H	H14A	DOPC	1	1
	9.98	13.34	60.61
	11	H	H14B	DOPC	1	1
	9.49	11.67	60.92
	12	H	H14C	DOPC	1	1
	10.83	12.44	61.8
	13	C	C15	DOPC	1	1
	11.59	10.46	59.86
	14	H	H15A	DOPC	1	1
	12.26	10.32	60.71
	15	H	H15B	DOPC	1	1
	12.24	10.17	59.02
	16	H	H15C	DOPC	1	1
	10.74	9.81	59.9
	17	C	C11	DOPC	1	1
	13.43	12.43	58.44
	18	H	H11A	DOPC	1	1
	12.88	12.63	57.5
	19	H	H11B	DOPC	1	1
	14.31	13.12	58.49
	20	P	P	DOPC	1	1
	14.87	10.67	57.31
	21	O	O13	DOPC	1	1
	14.98	9.19	57.25
	22	O	O14	DOPC	1	1
	16.09	11.47	57.44
	23	O	O12	DOPC	1	1
	13.85	11.07	58.47
	24	O	O11	DOPC	1	1
	14.1	11.2	56.03
	25	C	C1	DOPC	1	1
	12.87	10.66	55.59
	26	H	HA	DOPC	1	1
	12.28	11.48	55.12
	27	H	HB	DOPC	1	1
	12.26	10.25	56.43
	28	C	C2	DOPC	1	1
	13.1	9.57	54.53
	29	H	HS	DOPC	1	1
	13.74	8.79	55
	30	O	O21	DOPC	1	1
	13.75	10.19	53.39
	31	C	C21	DOPC	1	1
	14.31	9.35	52.55
	32	O	O22	DOPC	1	1
	14.42	8.15	52.72
	33	C	C22	DOPC	1	1
	14.75	10.09	51.28
	34	H	H2R	DOPC	1	1
	15.84	10.27	51.33
	35	H	H2S	DOPC	1	1
	14.24	11.07	51.21
	36	C	C3	DOPC	1	1
	11.74	8.92	54.12
	37	H	HX	DOPC	1	1
	11.33	8.35	54.98
	38	H	HY	DOPC	1	1
	11.92	8.2	53.29
	39	O	O31	DOPC	1	1
	10.81	9.98	53.8
	40	C	C31	DOPC	1	1
	10.12	9.79	52.69
	41	O	O32	DOPC	1	1
	9.93	8.74	52.13
	42	C	C32	DOPC	1	1
	9.75	11.11	52.11
	43	H	H2X	DOPC	1	1
	9.42	10.89	51.07
	44	H	H2Y	DOPC	1	1
	8.91	11.57	52.66
	45	C	C23	DOPC	1	1
	14.55	9.22	50.02
	46	H	H3R	DOPC	1	1
	15.08	8.25	50.17
	47	H	H3S	DOPC	1	1
	15.03	9.72	49.14
	48	C	C24	DOPC	1	1
	13.08	8.98	49.67
	49	H	H4R	DOPC	1	1
	12.64	9.93	49.32
	50	H	H4S	DOPC	1	1
	12.49	8.66	50.56
	51	C	C25	DOPC	1	1
	12.92	7.89	48.61
	52	H	H5R	DOPC	1	1
	12.91	6.89	49.11
	53	H	H5S	DOPC	1	1
	13.77	7.9	47.89
	54	C	C26	DOPC	1	1
	11.64	8.08	47.79
	55	H	H6R	DOPC	1	1
	10.79	8.2	48.48
	56	H	H6S	DOPC	1	1
	11.56	7.11	47.25
	57	C	C27	DOPC	1	1
	11.72	9.29	46.84
	58	H	H7R	DOPC	1	1
	12.44	9.07	46.03
	59	H	H7S	DOPC	1	1
	12.1	10.15	47.43
	60	C	C28	DOPC	1	1
	10.46	9.96	46.3
	61	H	H8R	DOPC	1	1
	10.75	10.72	45.56
	62	H	H8S	DOPC	1	1
	9.8	10.36	47.09
	63	C	C29	DOPC	1	1
	9.51	9.18	45.61
	64	H	H9R	DOPC	1	1
	8.8	8.67	46.28
	65	C	C210	DOPC	1	1
	9.46	9.02	44.32
	66	H	H10R	DOPC	1	1
	8.56	8.58	43.9
	67	C	C211	DOPC	1	1
	10.25	9.52	43.21
	68	H	H11R	DOPC	1	1
	10.54	8.77	42.45
	69	H	H11S	DOPC	1	1
	11.19	9.91	43.56
	70	C	C212	DOPC	1	1
	9.03	10.38	42.82
	71	H	H12R	DOPC	1	1
	8.66	11.08	43.62
	72	H	H12S	DOPC	1	1
	8.12	9.86	42.46
	73	C	C213	DOPC	1	1
	9.4	11.07	41.58
	74	H	H13R	DOPC	1	1
	8.51	11.43	41.05
	75	H	H13S	DOPC	1	1
	9.95	10.35	40.94
	76	C	C214	DOPC	1	1
	10.21	12.17	42.14
	77	H	H14R	DOPC	1	1
	11.1	11.74	42.65
	78	H	H14S	DOPC	1	1
	9.58	12.68	42.9
	79	C	C215	DOPC	1	1
	10.67	13.12	41.09
	80	H	H15R	DOPC	1	1
	9.89	13.47	40.48
	81	H	H15S	DOPC	1	1
	11.44	12.64	40.45
	82	C	C216	DOPC	1	1
	11.18	14.36	41.74
	83	H	H16R	DOPC	1	1
	11.62	15.06	41
	84	H	H16S	DOPC	1	1
	11.88	13.87	42.39
	85	C	C217	DOPC	1	1
	10.57	14.99	42.96
	86	H	H17R	DOPC	1	1
	11.33	15.73	43.29
	87	H	H17S	DOPC	1	1
	10.51	14.29	43.82
	88	C	C218	DOPC	1	1
	9.22	15.53	42.64
	89	H	H18R	DOPC	1	1
	8.81	16.03	43.53
	90	H	H18S	DOPC	1	1
	8.58	14.71	42.28
	91	H	H18T	DOPC	1	1
	9.25	16.26	41.82
	92	C	C33	DOPC	1	1
	11.06	11.92	52.12
	93	H	H3X	DOPC	1	1
	11.96	11.32	51.86
	94	H	H3Y	DOPC	1	1
	11.2	12.34	53.15
	95	C	C34	DOPC	1	1
	11.04	13.03	51.12
	96	H	H4X	DOPC	1	1
	11.82	13.77	51.07
	97	H	H4Y	DOPC	1	1
	10.38	13.6	51.74
	98	C	C35	DOPC	1	1
	10.55	12.71	49.69
	99	H	H5X	DOPC	1	1
	9.45	12.5	49.75
	100	H	H5Y	DOPC	1	1
	11.11	11.84	49.3
	101	C	C36	DOPC	1	1
	10.72	13.81	48.63
	102	H	H6X	DOPC	1	1
	10.21	14.64	48.98
	103	H	H6Y	DOPC	1	1
	11.58	14.4	48.58
	104	C	C37	DOPC	1	1
	10.38	13.52	47.17
	105	H	H7X	DOPC	1	1
	9.54	12.81	47.19
	106	H	H7Y	DOPC	1	1
	10.08	14.42	46.58
	107	C	C38	DOPC	1	1
	11.55	12.92	46.46
	108	H	H8X	DOPC	1	1
	11.21	12.55	45.48
	109	H	H8Y	DOPC	1	1
	11.98	12.16	47.13
	110	C	C39	DOPC	1	1
	12.53	13.95	46.2
	111	H	H9X	DOPC	1	1
	12.24	14.97	45.86
	112	C	C310	DOPC	1	1
	13.83	13.63	46.32
	113	H	H10X	DOPC	1	1
	14.47	14.36	46.64
	114	C	C311	DOPC	1	1
	14.7	12.48	46.6
	115	H	H11X	DOPC	1	1
	14.7	12.35	47.69
	116	H	H11Y	DOPC	1	1
	15.74	12.85	46.34
	117	C	C312	DOPC	1	1
	14.5	11.3	45.74
	118	H	H12X	DOPC	1	1
	13.49	10.93	46
	119	H	H12Y	DOPC	1	1
	15.3	10.58	46.02
	120	C	C313	DOPC	1	1
	14.49	11.57	44.24
	121	H	H13X	DOPC	1	1
	13.64	12.25	44.07
	122	H	H13Y	DOPC	1	1
	15.42	12.01	43.84
	123	C	C314	DOPC	1	1
	14.13	10.3	43.48
	124	H	H14X	DOPC	1	1
	14.92	9.56	43.72
	125	H	H14Y	DOPC	1	1
	13.17	9.93	43.88
	126	C	C315	DOPC	1	1
	14.02	10.52	41.98
	127	H	H15X	DOPC	1	1
	14.87	11.17	41.67
	128	H	H15Y	DOPC	1	1
	13.08	11.07	41.73
	129	C	C316	DOPC	1	1
	14.04	9.2	41.21
	130	H	H16X	DOPC	1	1
	14.97	8.64	41.47
	131	H	H16Y	DOPC	1	1
	13.16	8.59	41.52
	132	C	C317	DOPC	1	1
	13.99	9.44	39.71
	133	H	H17X	DOPC	1	1
	13.9	8.45	39.2
	134	H	H17Y	DOPC	1	1
	13.09	10.04	39.44
	135	C	C318	DOPC	1	1
	15.24	10.18	39.24
	136	H	H18X	DOPC	1	1
	15.28	10.24	38.13
	137	H	H18Y	DOPC	1	1
	15.3	11.16	39.69
	138	H	H18Z	DOPC	1	1
	16.14	9.65	39.62

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

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

