# --------------------------------------------------------------------------
#
# 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 DSPC.gro
#
#---------------------------------------------------------------------------

data_DSPC

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

_entry.id	DSPC

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

_chemical.entry_id	DSPC
_chemical.name_common	'DSPC'

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

_chemical_formula.entry_id	DSPC
_chemical_formula.structural	'C44H93NO8P'

###############
## 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	DSPC	1	1
	37.2	40.72	60.83
	2	C	C13	DSPC	1	1
	36.01	41.59	61.17
	3	H	H13A	DSPC	1	1
	35.89	42.38	60.42
	4	H	H13B	DSPC	1	1
	36.13	42.07	62.13
	5	H	H13C	DSPC	1	1
	35.08	41.04	61.11
	6	C	C14	DSPC	1	1
	37.36	39.69	61.87
	7	H	H14A	DSPC	1	1
	37.66	40.2	62.78
	8	H	H14B	DSPC	1	1
	38.17	39.02	61.58
	9	H	H14C	DSPC	1	1
	36.45	39.15	62.05
	10	C	C15	DSPC	1	1
	36.8	40.1	59.55
	11	H	H15A	DSPC	1	1
	37.58	39.5	59.08
	12	H	H15B	DSPC	1	1
	36.54	40.82	58.78
	13	H	H15C	DSPC	1	1
	35.92	39.47	59.68
	14	C	C12	DSPC	1	1
	38.58	41.42	60.75
	15	H	H12A	DSPC	1	1
	39.04	41.67	61.69
	16	H	H12B	DSPC	1	1
	38.37	42.42	60.45
	17	C	C11	DSPC	1	1
	39.58	41.02	59.6
	18	H	H11A	DSPC	1	1
	40.46	41.71	59.53
	19	H	H11B	DSPC	1	1
	39.14	41.1	58.58
	20	P	P	DSPC	1	1
	41.04	39.31	60.72
	21	O	O13	DSPC	1	1
	40.79	37.97	61.25
	22	O	O14	DSPC	1	1
	41.31	40.49	61.59
	23	O	O11	DSPC	1	1
	42.19	39.28	59.65
	24	O	O12	DSPC	1	1
	39.88	39.66	59.75
	25	C	C1	DSPC	1	1
	42.47	38.09	58.92
	26	H	HA	DSPC	1	1
	42.27	37.17	59.51
	27	H	HB	DSPC	1	1
	43.5	38	58.64
	28	C	C2	DSPC	1	1
	41.96	38.14	57.49
	29	H	HS	DSPC	1	1
	42.68	37.71	56.75
	30	O	O21	DSPC	1	1
	41.48	39.41	57.13
	31	C	C21	DSPC	1	1
	42.31	40.24	56.76
	32	O	O22	DSPC	1	1
	43.5	40.05	56.5
	33	C	C22	DSPC	1	1
	41.42	41.49	56.53
	34	H	H2R	DSPC	1	1
	41.89	42.38	56.92
	35	H	H2S	DSPC	1	1
	40.45	41.45	57
	36	C	C3	DSPC	1	1
	40.83	37.3	57.43
	37	H	HX	DSPC	1	1
	40.3	37.92	58.22
	38	H	HY	DSPC	1	1
	40.98	36.29	57.9
	39	O	O31	DSPC	1	1
	40.25	37.32	56.1
	40	C	C31	DSPC	1	1
	39.32	38.27	55.7
	41	O	O32	DSPC	1	1
	38.91	39.2	56.35
	42	C	C32	DSPC	1	1
	38.75	37.92	54.33
	43	H	H2X	DSPC	1	1
	37.82	38.37	54.01
	44	H	H2Y	DSPC	1	1
	38.3	36.95	54.35
	45	C	C23	DSPC	1	1
	41.16	41.63	55.05
	46	H	H3R	DSPC	1	1
	40.87	40.82	54.47
	47	H	H3S	DSPC	1	1
	42.18	41.49	54.86
	48	C	C24	DSPC	1	1
	40.47	42.87	54.47
	49	H	H4R	DSPC	1	1
	40.82	43.1	53.42
	50	H	H4S	DSPC	1	1
	40.75	43.76	55.07
	51	C	C25	DSPC	1	1
	39.01	42.6	54.45
	52	H	H5R	DSPC	1	1
	38.45	43.51	54.21
	53	H	H5S	DSPC	1	1
	38.75	42.25	55.47
	54	C	C26	DSPC	1	1
	38.66	41.49	53.46
	55	H	H6R	DSPC	1	1
	39.15	40.57	53.81
	56	H	H6S	DSPC	1	1
	39.04	41.71	52.44
	57	C	C27	DSPC	1	1
	37.19	41.16	53.55
	58	H	H7R	DSPC	1	1
	36.6	42.08	53.35
	59	H	H7S	DSPC	1	1
	36.96	40.76	54.55
	60	C	C28	DSPC	1	1
	36.83	40.13	52.53
	61	H	H8R	DSPC	1	1
	35.94	39.52	52.79
	62	H	H8S	DSPC	1	1
	37.69	39.43	52.38
	63	C	C29	DSPC	1	1
	36.52	40.94	51.31
	64	H	H9R	DSPC	1	1
	37.46	41.35	50.84
	65	H	H9S	DSPC	1	1
	35.77	41.74	51.45
	66	C	C210	DSPC	1	1
	35.73	40.18	50.35
	67	H	H10R	DSPC	1	1
	35.69	40.95	49.55
	68	H	H10S	DSPC	1	1
	34.83	39.57	50.55
	69	C	C211	DSPC	1	1
	36.5	39.13	49.95
	70	H	H11R	DSPC	1	1
	37.36	38.85	50.61
	71	H	H11S	DSPC	1	1
	37.32	39.79	49.54
	72	C	C212	DSPC	1	1
	35.5	37.98	49.03
	73	H	H12R	DSPC	1	1
	36.19	37.34	48.61
	74	H	H12S	DSPC	1	1
	35.76	37.85	49.99
	75	C	C213	DSPC	1	1
	35.93	36.77	47.86
	76	H	H13R	DSPC	1	1
	36.45	37.33	46.97
	77	H	H13S	DSPC	1	1
	34.8	36.55	48.12
	78	C	C214	DSPC	1	1
	35.82	35.9	46.69
	79	H	H14R	DSPC	1	1
	35.85	35.09	47.46
	80	H	H14S	DSPC	1	1
	34.99	36.1	46.04
	81	C	C215	DSPC	1	1
	37.04	35.83	45.81
	82	H	H15R	DSPC	1	1
	37.32	36.74	45.5
	83	H	H15S	DSPC	1	1
	37.85	36.23	46.42
	84	C	C216	DSPC	1	1
	37.13	34.9	44.51
	85	H	H16R	DSPC	1	1
	36.44	35.46	43.9
	86	H	H16S	DSPC	1	1
	36.71	34.29	45.3
	87	C	C217	DSPC	1	1
	38.37	34.16	43.56
	88	H	H17R	DSPC	1	1
	39.24	33.79	44.05
	89	H	H17S	DSPC	1	1
	39.19	34.68	43.13
	90	C	C218	DSPC	1	1
	38.72	32.91	42.94
	91	H	H18R	DSPC	1	1
	38.42	32.12	43.7
	92	H	H18S	DSPC	1	1
	39.77	32.85	42.56
	93	H	H18T	DSPC	1	1
	38.1	33.29	42.11
	94	C	C33	DSPC	1	1
	39.88	37.67	53.42
	95	H	H3X	DSPC	1	1
	39.57	37.35	52.45
	96	H	H3Y	DSPC	1	1
	40.52	36.9	53.89
	97	C	C34	DSPC	1	1
	40.62	38.87	53.07
	98	H	H4X	DSPC	1	1
	40.87	39.16	54.09
	99	H	H4Y	DSPC	1	1
	39.96	39.46	52.4
	100	C	C35	DSPC	1	1
	41.9	38.51	52.49
	101	H	H5X	DSPC	1	1
	42.16	37.73	53.22
	102	H	H5Y	DSPC	1	1
	42.86	38.71	52.82
	103	C	C36	DSPC	1	1
	41.87	38.25	51.01
	104	H	H6X	DSPC	1	1
	41	37.62	50.85
	105	H	H6Y	DSPC	1	1
	42.82	37.78	50.67
	106	C	C37	DSPC	1	1
	41.45	39.25	50.05
	107	H	H7X	DSPC	1	1
	42.1	40.05	50.38
	108	H	H7Y	DSPC	1	1
	40.41	39.59	50.16
	109	C	C38	DSPC	1	1
	41.81	38.78	48.64
	110	H	H8X	DSPC	1	1
	42.83	38.37	48.49
	111	H	H8Y	DSPC	1	1
	41.6	39.77	48.2
	112	C	C39	DSPC	1	1
	41.09	37.69	47.96
	113	H	H9X	DSPC	1	1
	40.28	37.85	48.62
	114	H	H9Y	DSPC	1	1
	41.26	36.66	48.11
	115	C	C310	DSPC	1	1
	40.85	37.83	46.49
	116	H	H10X	DSPC	1	1
	40.27	38.77	46.48
	117	H	H10Y	DSPC	1	1
	39.91	37.37	46.4
	118	C	C311	DSPC	1	1
	41.96	37.24	45.35
	119	H	H11X	DSPC	1	1
	42.66	36.76	46.04
	120	H	H11Y	DSPC	1	1
	42.57	37.95	44.8
	121	C	C312	DSPC	1	1
	42	36.7	43.79
	122	H	H12X	DSPC	1	1
	41.63	35.73	43.58
	123	H	H12Y	DSPC	1	1
	43.09	36.52	43.67
	124	C	C313	DSPC	1	1
	41.35	37.52	42.54
	125	H	H13X	DSPC	1	1
	42.22	38.12	42.47
	126	H	H13Y	DSPC	1	1
	40.53	38	43.02
	127	C	C314	DSPC	1	1
	40.13	37.82	41.47
	128	H	H14X	DSPC	1	1
	39.35	38.63	41.47
	129	H	H14Y	DSPC	1	1
	39.33	37.19	41.11
	130	C	C315	DSPC	1	1
	40.73	38.06	40.31
	131	H	H15X	DSPC	1	1
	41.79	37.92	40.66
	132	H	H15Y	DSPC	1	1
	40.4	39.04	39.99
	133	C	C316	DSPC	1	1
	40.32	37.21	39.32
	134	H	H16X	DSPC	1	1
	39.69	37.88	38.66
	135	H	H16Y	DSPC	1	1
	39.71	36.31	39.63
	136	C	C317	DSPC	1	1
	41.78	37.01	39.02
	137	H	H17X	DSPC	1	1
	41.22	36.19	38.66
	138	H	H17Y	DSPC	1	1
	42.03	37.94	38.46
	139	C	C318	DSPC	1	1
	42.84	36.06	39.62
	140	H	H18X	DSPC	1	1
	43.33	35.48	38.83
	141	H	H18Y	DSPC	1	1
	43.78	36.47	40.02
	142	H	H18Z	DSPC	1	1
	42.28	35.26	40.14

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

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

