# --------------------------------------------------------------------------
#
# 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 POPC.gro
#
#---------------------------------------------------------------------------

data_POPC

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

_entry.id	POPC

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

_chemical.entry_id	POPC
_chemical.name_common	'POPC'

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

_chemical_formula.entry_id	POPC
_chemical_formula.structural	'C42H82NO8P'

###############
## 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	POPC	1	1
	8.35	17.39	60.28
	2	C	C12	POPC	1	1
	9.49	18.27	59.73
	3	H	H12A	POPC	1	1
	10.42	18.11	60.27
	4	H	H12B	POPC	1	1
	9.26	19.32	59.9
	5	C	C13	POPC	1	1
	7.04	17.98	59.85
	6	H	H13A	POPC	1	1
	7.04	19.07	59.94
	7	H	H13B	POPC	1	1
	6.91	17.83	58.78
	8	H	H13C	POPC	1	1
	6.2	17.59	60.4
	9	C	C14	POPC	1	1
	8.43	15.99	59.74
	10	H	H14A	POPC	1	1
	9.47	15.74	59.58
	11	H	H14B	POPC	1	1
	7.96	15.28	60.41
	12	H	H14C	POPC	1	1
	7.97	15.98	58.75
	13	C	C15	POPC	1	1
	8.42	17.43	61.76
	14	H	H15A	POPC	1	1
	7.49	17.13	62.21
	15	H	H15B	POPC	1	1
	8.66	18.44	62.13
	16	H	H15C	POPC	1	1
	9.19	16.79	62.14
	17	C	C11	POPC	1	1
	9.83	18.1	58.24
	18	H	H11A	POPC	1	1
	10.08	17.04	58.1
	19	H	H11B	POPC	1	1
	10.81	18.6	57.99
	20	P	P	POPC	1	1
	8.84	19.97	56.84
	21	O	O13	POPC	1	1
	10.1	20.09	56.08
	22	O	O14	POPC	1	1
	8.57	20.86	58
	23	O	O12	POPC	1	1
	8.73	18.48	57.39
	24	O	O11	POPC	1	1
	7.64	20.14	55.82
	25	C	C1	POPC	1	1
	6.35	19.57	56.02
	26	H	HA	POPC	1	1
	5.65	20.39	56.26
	27	H	HB	POPC	1	1
	6.35	18.84	56.86
	28	C	C2	POPC	1	1
	5.85	18.79	54.78
	29	H	HS	POPC	1	1
	4.88	18.31	55.05
	30	O	O21	POPC	1	1
	6.83	17.82	54.45
	31	C	C21	POPC	1	1
	6.59	16.57	54.77
	32	O	O22	POPC	1	1
	5.54	16.13	55.23
	33	C	C22	POPC	1	1
	7.76	15.77	54.3
	34	H	H2R	POPC	1	1
	7.71	14.7	54.59
	35	H	H2S	POPC	1	1
	8.68	16.26	54.69
	36	C	C3	POPC	1	1
	5.57	19.69	53.55
	37	H	HX	POPC	1	1
	4.57	20.13	53.72
	38	H	HY	POPC	1	1
	5.49	19.06	52.62
	39	O	O31	POPC	1	1
	6.52	20.76	53.42
	40	C	C31	POPC	1	1
	7.5	20.58	52.55
	41	O	O32	POPC	1	1
	7.58	19.67	51.75
	42	C	C32	POPC	1	1
	8.41	21.8	52.61
	43	H	H2X	POPC	1	1
	8.83	21.85	53.64
	44	H	H2Y	POPC	1	1
	7.81	22.71	52.42
	45	C	C23	POPC	1	1
	7.77	15.95	52.8
	46	H	H3R	POPC	1	1
	7.76	17.02	52.46
	47	H	H3S	POPC	1	1
	6.96	15.35	52.33
	48	C	C24	POPC	1	1
	9	15.4	52.25
	49	H	H4R	POPC	1	1
	9.19	14.48	52.86
	50	H	H4S	POPC	1	1
	9.91	16.04	52.36
	51	C	C25	POPC	1	1
	8.7	15.07	50.78
	52	H	H5R	POPC	1	1
	8.07	14.16	50.66
	53	H	H5S	POPC	1	1
	9.73	14.86	50.62
	54	C	C26	POPC	1	1
	8.46	16.18	49.73
	55	H	H6R	POPC	1	1
	9.26	16.94	49.93
	56	H	H6S	POPC	1	1
	7.46	16.58	49.97
	57	C	C27	POPC	1	1
	8.47	15.86	48.19
	58	H	H7R	POPC	1	1
	9.5	15.79	47.81
	59	H	H7S	POPC	1	1
	8.29	16.74	47.57
	60	C	C28	POPC	1	1
	7.67	14.6	47.74
	61	H	H8R	POPC	1	1
	7.94	13.68	48.3
	62	H	H8S	POPC	1	1
	7.88	14.38	46.66
	63	C	C29	POPC	1	1
	6.23	14.9	47.95
	64	H	H91	POPC	1	1
	5.78	14.43	48.83
	65	C	C210	POPC	1	1
	5.52	15.67	47.11
	66	H	H101	POPC	1	1
	4.5	15.95	47.4
	67	C	C211	POPC	1	1
	6.08	16.33	45.87
	68	H	H11R	POPC	1	1
	7.11	15.99	45.62
	69	H	H11S	POPC	1	1
	6.13	17.43	45.98
	70	C	C212	POPC	1	1
	5.23	16.01	44.64
	71	H	H12R	POPC	1	1
	4.27	16.58	44.66
	72	H	H12S	POPC	1	1
	4.99	14.92	44.61
	73	C	C213	POPC	1	1
	5.98	16.34	43.36
	74	H	H13R	POPC	1	1
	6.89	15.71	43.38
	75	H	H13S	POPC	1	1
	6.27	17.4	43.22
	76	C	C214	POPC	1	1
	5.2	15.94	42.15
	77	H	H14R	POPC	1	1
	4.5	16.71	41.78
	78	H	H14S	POPC	1	1
	4.51	15.12	42.41
	79	C	C215	POPC	1	1
	6.15	15.52	41.06
	80	H	H15R	POPC	1	1
	6.94	14.78	41.3
	81	H	H15S	POPC	1	1
	6.72	16.41	40.67
	82	C	C216	POPC	1	1
	5.18	14.95	40.04
	83	H	H16R	POPC	1	1
	5.03	15.95	39.8
	84	H	H16S	POPC	1	1
	4.21	14.53	40.27
	85	C	C217	POPC	1	1
	5.84	14.1	39.05
	86	H	H17R	POPC	1	1
	6.61	13.59	39.62
	87	H	H17S	POPC	1	1
	6.42	14.78	38.87
	88	C	C218	POPC	1	1
	5.6	13.65	37.6
	89	H	H18R	POPC	1	1
	6.44	13.24	37.1
	90	H	H18S	POPC	1	1
	5.48	14.16	36.7
	91	H	H18T	POPC	1	1
	4.95	12.8	37.59
	92	C	C33	POPC	1	1
	9.56	21.69	51.61
	93	H	H3X	POPC	1	1
	9.88	20.64	51.44
	94	H	H3Y	POPC	1	1
	10.43	22.17	52.11
	95	C	C34	POPC	1	1
	9.31	22.41	50.28
	96	H	H4X	POPC	1	1
	10.24	22.34	49.68
	97	H	H4Y	POPC	1	1
	9.06	23.48	50.45
	98	C	C35	POPC	1	1
	8.21	21.84	49.41
	99	H	H5X	POPC	1	1
	7.23	22.04	49.9
	100	H	H5Y	POPC	1	1
	8.35	20.74	49.32
	101	C	C36	POPC	1	1
	8.26	22.5	48.03
	102	H	H6X	POPC	1	1
	9.21	22.38	47.49
	103	H	H6Y	POPC	1	1
	8.05	23.59	48.15
	104	C	C37	POPC	1	1
	7.15	21.97	47.16
	105	H	H7X	POPC	1	1
	7.18	22.41	46.14
	106	H	H7Y	POPC	1	1
	6.34	22.43	47.78
	107	C	C38	POPC	1	1
	6.84	20.45	47.12
	108	H	H8X	POPC	1	1
	5.93	20.18	46.54
	109	H	H8Y	POPC	1	1
	6.6	20.13	48.16
	110	C	C39	POPC	1	1
	7.99	19.64	46.57
	111	H	H9X	POPC	1	1
	7.96	18.65	47.06
	112	H	H9Y	POPC	1	1
	8.92	20.16	46.89
	113	C	C310	POPC	1	1
	7.99	19.48	45.06
	114	H	H10X	POPC	1	1
	7.97	20.48	44.56
	115	H	H10Y	POPC	1	1
	7.08	18.93	44.72
	116	C	C311	POPC	1	1
	9.21	18.71	44.59
	117	H	H11X	POPC	1	1
	9.17	17.66	44.97
	118	H	H11Y	POPC	1	1
	10.15	19.18	44.95
	119	C	C312	POPC	1	1
	9.26	18.65	43.09
	120	H	H12X	POPC	1	1
	8.91	19.66	42.81
	121	H	H12Y	POPC	1	1
	8.48	17.98	42.68
	122	C	C313	POPC	1	1
	10.71	18.3	42.67
	123	H	H13X	POPC	1	1
	11.03	17.49	43.29
	124	H	H13Y	POPC	1	1
	11.45	19.09	42.92
	125	C	C314	POPC	1	1
	11.01	17.89	41.25
	126	H	H14X	POPC	1	1
	10.09	17.59	40.71
	127	H	H14Y	POPC	1	1
	11.72	17.05	41.12
	128	C	C315	POPC	1	1
	11.59	19.16	40.69
	129	H	H15X	POPC	1	1
	11.58	18.61	39.72
	130	H	H15Y	POPC	1	1
	12.62	19.44	40.49
	131	C	C316	POPC	1	1
	10.65	20.35	41.09
	132	H	H16X	POPC	1	1
	9.64	19.97	41.21
	133	H	H16Y	POPC	1	1
	10	20.91	40.41
	134	H	H16Z	POPC	1	1
	11.08	21.3	41.39

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

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

