# --------------------------------------------------------------------------
#
# 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 SAPA.gro
#
#---------------------------------------------------------------------------

data_SAPA

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

_entry.id	SAPA

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

_chemical.entry_id	SAPA
_chemical.name_common	'SAPA'

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

_chemical_formula.entry_id	SAPA
_chemical_formula.structural	'C41H75O8P'

###############
## 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	P	P	SAPA	1	1
	77.93	66.64	59.9
	2	O	O13	SAPA	1	1
	77.43	65.25	59.82
	3	O	O14	SAPA	1	1
	79.16	66.86	60.66
	4	O	O12	SAPA	1	1
	76.76	67.41	60.67
	5	H	H12	SAPA	1	1
	76.65	67.14	61.58
	6	O	O11	SAPA	1	1
	77.96	67.39	58.5
	7	C	C1	SAPA	1	1
	76.86	67.36	57.59
	8	H	HA	SAPA	1	1
	76.42	66.34	57.55
	9	H	HB	SAPA	1	1
	76.07	68.11	57.89
	10	C	C2	SAPA	1	1
	77.3	67.7	56.14
	11	H	HS	SAPA	1	1
	76.61	67.17	55.43
	12	O	O21	SAPA	1	1
	78.67	67.33	55.89
	13	C	C21	SAPA	1	1
	78.93	66.06	55.73
	14	O	O22	SAPA	1	1
	78.11	65.16	55.66
	15	C	C22	SAPA	1	1
	80.45	65.94	55.51
	16	H	H2R	SAPA	1	1
	80.88	66.73	54.88
	17	H	H2S	SAPA	1	1
	81.05	66.23	56.35
	18	C	C3	SAPA	1	1
	77.2	69.23	55.94
	19	H	HX	SAPA	1	1
	77.65	69.72	56.83
	20	H	HY	SAPA	1	1
	76.16	69.61	55.87
	21	O	O31	SAPA	1	1
	77.86	69.56	54.73
	22	C	C31	SAPA	1	1
	78.35	70.74	54.64
	23	O	O32	SAPA	1	1
	78.44	71.59	55.51
	24	C	C32	SAPA	1	1
	78.96	70.76	53.25
	25	H	H2X	SAPA	1	1
	79.44	71.78	53.39
	26	H	H2Y	SAPA	1	1
	78.37	71.11	52.41
	27	C	C23	SAPA	1	1
	80.92	64.55	55.13
	28	H	H3R	SAPA	1	1
	80.07	63.88	55.33
	29	H	H3S	SAPA	1	1
	81.82	64.2	55.68
	30	C	C24	SAPA	1	1
	81.09	64.8	53.69
	31	H	H4R	SAPA	1	1
	81.85	65.49	53.43
	32	H	H4S	SAPA	1	1
	80.23	65.35	53.27
	33	C	C25	SAPA	1	1
	81.67	63.93	52.79
	34	H	H5R	SAPA	1	1
	82.5	63.19	53.09
	35	C	C26	SAPA	1	1
	80.8	63.71	51.85
	36	H	H6R	SAPA	1	1
	81.37	62.71	51.95
	37	C	C27	SAPA	1	1
	79.21	63.88	51.06
	38	H	H7R	SAPA	1	1
	79.01	64.89	51.1
	39	H	H7S	SAPA	1	1
	78.26	63.44	51.65
	40	C	C28	SAPA	1	1
	78.57	63.15	49.73
	41	H	H8R	SAPA	1	1
	79.19	62.72	48.93
	42	C	C29	SAPA	1	1
	77.44	62.87	49.17
	43	H	H9R	SAPA	1	1
	77.51	62.56	48.09
	44	C	C210	SAPA	1	1
	76.35	63.43	49.96
	45	H	H10R	SAPA	1	1
	76.61	63.87	50.94
	46	H	H10S	SAPA	1	1
	75.62	62.66	50.19
	47	C	C211	SAPA	1	1
	76	64.61	49.13
	48	H	H11R	SAPA	1	1
	76.52	65.55	49.38
	49	C	C212	SAPA	1	1
	75.24	64.54	48.05
	50	H	H12R	SAPA	1	1
	75.16	65.48	47.49
	51	C	C213	SAPA	1	1
	74.6	63.29	47.48
	52	H	H13R	SAPA	1	1
	74.53	62.45	48.22
	53	H	H13S	SAPA	1	1
	75.31	62.92	46.73
	54	C	C214	SAPA	1	1
	73.28	63.45	46.78
	55	H	H14R	SAPA	1	1
	72.42	62.99	47.3
	56	C	C215	SAPA	1	1
	73.05	64.13	45.64
	57	H	H15R	SAPA	1	1
	72.02	64.16	45.25
	58	C	C216	SAPA	1	1
	74.08	64.87	44.82
	59	H	H16R	SAPA	1	1
	75.09	64.76	45.28
	60	H	H16S	SAPA	1	1
	73.83	65.96	44.83
	61	C	C217	SAPA	1	1
	74.24	64.4	43.38
	62	H	H17R	SAPA	1	1
	73.36	64.68	42.75
	63	H	H17S	SAPA	1	1
	74.36	63.3	43.31
	64	C	C218	SAPA	1	1
	75.5	64.98	42.78
	65	H	H18R	SAPA	1	1
	76.42	64.77	43.35
	66	H	H18S	SAPA	1	1
	75.39	66.08	42.59
	67	C	C219	SAPA	1	1
	75.82	64.33	41.51
	68	H	H19R	SAPA	1	1
	76.64	65.03	41.15
	69	H	H19S	SAPA	1	1
	74.87	64.37	40.89
	70	C	C220	SAPA	1	1
	76.45	62.96	41.42
	71	H	H20R	SAPA	1	1
	75.81	62.15	41.79
	72	H	H20S	SAPA	1	1
	77.46	62.99	41.82
	73	H	H20T	SAPA	1	1
	76.69	62.7	40.4
	74	C	C33	SAPA	1	1
	79.84	69.37	53.06
	75	H	H3X	SAPA	1	1
	80.43	68.94	53.9
	76	H	H3Y	SAPA	1	1
	80.77	69.46	52.53
	77	C	C34	SAPA	1	1
	79.54	68.21	52.22
	78	H	H4X	SAPA	1	1
	78.75	67.9	52.91
	79	H	H4Y	SAPA	1	1
	80.51	67.62	52.28
	80	C	C35	SAPA	1	1
	79.1	68.5	50.81
	81	H	H5X	SAPA	1	1
	79.9	68.8	50.11
	82	H	H5Y	SAPA	1	1
	78.32	69.28	50.84
	83	C	C36	SAPA	1	1
	78.95	67.25	50.02
	84	H	H6X	SAPA	1	1
	78.05	66.81	50.45
	85	H	H6Y	SAPA	1	1
	79.9	66.69	50.26
	86	C	C37	SAPA	1	1
	78.91	67.5	48.51
	87	H	H7X	SAPA	1	1
	79.65	68.25	48.16
	88	H	H7Y	SAPA	1	1
	77.91	67.93	48.29
	89	C	C38	SAPA	1	1
	79.19	66.18	47.78
	90	H	H8X	SAPA	1	1
	78.63	65.38	48.29
	91	H	H8Y	SAPA	1	1
	80.26	65.87	47.91
	92	C	C39	SAPA	1	1
	78.8	66.17	46.3
	93	H	H9X	SAPA	1	1
	77.7	66.02	46.16
	94	H	H9Y	SAPA	1	1
	79.35	65.35	45.79
	95	C	C310	SAPA	1	1
	79.17	67.42	45.53
	96	H	H10X	SAPA	1	1
	80.28	67.59	45.6
	97	H	H10Y	SAPA	1	1
	78.66	68.32	45.93
	98	C	C311	SAPA	1	1
	78.69	67.23	44.09
	99	H	H11X	SAPA	1	1
	77.61	67.3	43.94
	100	H	H11Y	SAPA	1	1
	79.18	66.36	43.56
	101	C	C312	SAPA	1	1
	79.03	68.41	43.34
	102	H	H12X	SAPA	1	1
	80.01	68.07	43.55
	103	H	H12Y	SAPA	1	1
	79	69.39	43.87
	104	C	C313	SAPA	1	1
	78.82	68.37	41.85
	105	H	H13X	SAPA	1	1
	78.82	69.41	41.53
	106	H	H13Y	SAPA	1	1
	77.8	68.42	41.55
	107	C	C314	SAPA	1	1
	79.72	67.32	41.12
	108	H	H14X	SAPA	1	1
	79.37	66.33	41.42
	109	H	H14Y	SAPA	1	1
	80.82	67.35	41.25
	110	C	C315	SAPA	1	1
	79.55	67.37	39.65
	111	H	H15X	SAPA	1	1
	80.28	68	39.16
	112	H	H15Y	SAPA	1	1
	78.52	67.63	39.38
	113	C	C316	SAPA	1	1
	80.02	66.22	38.94
	114	H	H16X	SAPA	1	1
	79.27	65.47	39.26
	115	H	H16Y	SAPA	1	1
	81.09	66.03	39.21
	116	C	C317	SAPA	1	1
	79.96	66.3	37.47
	117	H	H17X	SAPA	1	1
	79	66.48	36.98
	118	H	H17Y	SAPA	1	1
	80.51	65.35	37.19
	119	C	C318	SAPA	1	1
	80.76	67.07	36.71
	120	H	H18X	SAPA	1	1
	81.26	67.92	36.59
	121	H	H18Y	SAPA	1	1
	80.94	66.51	35.87
	122	H	H18Z	SAPA	1	1
	81.48	66.94	37.54

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

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

