# --------------------------------------------------------------------------
#
# 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 SDPA.gro
#
#---------------------------------------------------------------------------

data_SDPA

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

_entry.id	SDPA

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

_chemical.entry_id	SDPA
_chemical.name_common	'SDPA'

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

_chemical_formula.entry_id	SDPA
_chemical_formula.structural	'C43H79O8P'

###############
## 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	SDPA	1	1
	60.29	15.6	60.04
	2	O	O13	SDPA	1	1
	60.63	16.41	61.22
	3	O	O14	SDPA	1	1
	59.21	15.97	59.12
	4	O	O12	SDPA	1	1
	59.89	14.2	60.66
	5	H	H12	SDPA	1	1
	59.85	13.48	60.05
	6	O	O11	SDPA	1	1
	61.59	15.3	59.2
	7	C	C1	SDPA	1	1
	62.74	14.69	59.8
	8	H	HA	SDPA	1	1
	62.42	13.92	60.55
	9	H	HB	SDPA	1	1
	63.38	15.43	60.32
	10	C	C2	SDPA	1	1
	63.65	13.96	58.76
	11	H	HS	SDPA	1	1
	64.56	13.57	59.28
	12	O	O21	SDPA	1	1
	64.03	14.79	57.65
	13	C	C21	SDPA	1	1
	64.82	15.81	57.86
	14	O	O22	SDPA	1	1
	65.36	16.11	58.91
	15	C	C22	SDPA	1	1
	65.02	16.54	56.55
	16	H	H2R	SDPA	1	1
	64.93	15.87	55.68
	17	H	H2S	SDPA	1	1
	66.1	16.8	56.61
	18	C	C3	SDPA	1	1
	62.91	12.72	58.19
	19	H	HX	SDPA	1	1
	62.5	12.19	59.07
	20	H	HY	SDPA	1	1
	63.64	12.02	57.72
	21	O	O31	SDPA	1	1
	61.78	13.06	57.37
	22	C	C31	SDPA	1	1
	62	12.9	56.08
	23	O	O32	SDPA	1	1
	63.01	12.42	55.59
	24	C	C32	SDPA	1	1
	60.69	13.28	55.37
	25	H	H2X	SDPA	1	1
	60.36	14.25	55.74
	26	H	H2Y	SDPA	1	1
	59.89	12.54	55.63
	27	C	C23	SDPA	1	1
	64.08	17.77	56.5
	28	H	H3R	SDPA	1	1
	64.45	18.59	55.91
	29	H	H3S	SDPA	1	1
	64.06	18.26	57.5
	30	C	C24	SDPA	1	1
	62.77	17.59	55.81
	31	H	H4R	SDPA	1	1
	61.94	17.63	56.49
	32	C	C25	SDPA	1	1
	62.57	17.44	54.49
	33	H	H5R	SDPA	1	1
	61.57	17.36	54.06
	34	C	C26	SDPA	1	1
	63.64	17.42	53.47
	35	H	H6R	SDPA	1	1
	64.59	17.11	53.95
	36	H	H6S	SDPA	1	1
	63.71	18.46	53.08
	37	C	C27	SDPA	1	1
	63.36	16.53	52.33
	38	H	H7R	SDPA	1	1
	62.35	16.63	51.93
	39	C	C28	SDPA	1	1
	64.24	15.7	51.78
	40	H	H8R	SDPA	1	1
	63.9	15.06	50.96
	41	C	C29	SDPA	1	1
	65.65	15.56	52.26
	42	H	H9R	SDPA	1	1
	66.03	16.43	52.81
	43	H	H9S	SDPA	1	1
	66.33	15.48	51.38
	44	C	C210	SDPA	1	1
	65.85	14.41	53.16
	45	H	H10R	SDPA	1	1
	66.47	14.52	54.1
	46	C	C211	SDPA	1	1
	65.66	13.21	52.66
	47	H	H11R	SDPA	1	1
	66.33	12.58	52.89
	48	C	C212	SDPA	1	1
	65.29	12.42	51.48
	49	H	H12R	SDPA	1	1
	65.26	13.24	50.8
	50	H	H12S	SDPA	1	1
	64.41	11.97	51.89
	51	C	C213	SDPA	1	1
	65.84	11.27	50.67
	52	H	H13R	SDPA	1	1
	66.45	10.5	51.27
	53	C	C214	SDPA	1	1
	66.45	11.63	49.51
	54	H	H14R	SDPA	1	1
	66.91	10.68	49.15
	55	C	C215	SDPA	1	1
	66.84	13.02	48.71
	56	H	H15R	SDPA	1	1
	67.04	13.86	49.42
	57	H	H15S	SDPA	1	1
	65.92	13.11	48.24
	58	C	C216	SDPA	1	1
	67.87	13.39	47.5
	59	H	H16R	SDPA	1	1
	68.97	13.54	47.72
	60	C	C217	SDPA	1	1
	67.86	13.08	46.19
	61	H	H17R	SDPA	1	1
	68.84	12.76	45.71
	62	C	C218	SDPA	1	1
	66.75	12.29	45.68
	63	H	H18R	SDPA	1	1
	66.91	12.47	44.62
	64	H	H18S	SDPA	1	1
	65.92	12.84	46.1
	65	C	C219	SDPA	1	1
	66.38	10.88	45.94
	66	H	H19R	SDPA	1	1
	66.12	10.43	46.91
	67	C	C220	SDPA	1	1
	66.12	10.06	45.03
	68	H	H20R	SDPA	1	1
	65.79	9.13	45.42
	69	C	C221	SDPA	1	1
	66.14	10.43	43.62
	70	H	H21R	SDPA	1	1
	67.16	10.13	43.25
	71	H	H21S	SDPA	1	1
	65.97	11.45	43.37
	72	C	C222	SDPA	1	1
	64.95	9.83	42.98
	73	H	H22R	SDPA	1	1
	64.78	8.96	43.54
	74	H	H22S	SDPA	1	1
	65.46	9.79	42.05
	75	H	H22T	SDPA	1	1
	63.94	10	42.65
	76	C	C33	SDPA	1	1
	60.8	13.45	53.84
	77	H	H3X	SDPA	1	1
	61.31	12.69	53.32
	78	H	H3Y	SDPA	1	1
	61.6	14.13	53.53
	79	C	C34	SDPA	1	1
	59.45	13.39	53.12
	80	H	H4X	SDPA	1	1
	58.85	12.44	53.18
	81	H	H4Y	SDPA	1	1
	59.71	13.47	52.05
	82	C	C35	SDPA	1	1
	58.55	14.49	53.57
	83	H	H5X	SDPA	1	1
	58.32	14.31	54.66
	84	H	H5Y	SDPA	1	1
	57.61	14.43	52.99
	85	C	C36	SDPA	1	1
	59.28	15.83	53.4
	86	H	H6X	SDPA	1	1
	60.38	15.68	53.37
	87	H	H6Y	SDPA	1	1
	59.02	16.43	54.29
	88	C	C37	SDPA	1	1
	58.98	16.68	52.17
	89	H	H7X	SDPA	1	1
	59.35	17.7	52.34
	90	H	H7Y	SDPA	1	1
	57.87	16.69	52.02
	91	C	C38	SDPA	1	1
	59.65	16.12	50.92
	92	H	H8X	SDPA	1	1
	58.78	15.46	50.77
	93	H	H8Y	SDPA	1	1
	60.56	15.51	51.14
	94	C	C39	SDPA	1	1
	59.88	17.04	49.69
	95	H	H9X	SDPA	1	1
	60.75	17.69	49.91
	96	H	H9Y	SDPA	1	1
	58.97	17.65	49.5
	97	C	C310	SDPA	1	1
	60.25	16.4	48.33
	98	H	H10X	SDPA	1	1
	60.37	17.15	47.55
	99	H	H10Y	SDPA	1	1
	59.41	15.98	47.8
	100	C	C311	SDPA	1	1
	61.31	15.32	48.53
	101	H	H11X	SDPA	1	1
	60.96	14.53	49.24
	102	H	H11Y	SDPA	1	1
	62.22	15.77	48.93
	103	C	C312	SDPA	1	1
	61.72	14.58	47.31
	104	H	H12X	SDPA	1	1
	60.82	14.01	47.1
	105	H	H12Y	SDPA	1	1
	62.46	13.8	47.53
	106	C	C313	SDPA	1	1
	62.36	15.54	46.3
	107	H	H13X	SDPA	1	1
	63.04	16.2	46.84
	108	H	H13Y	SDPA	1	1
	61.57	16.18	45.83
	109	C	C314	SDPA	1	1
	63.33	14.91	45.26
	110	H	H14X	SDPA	1	1
	63.99	14.08	45.5
	111	H	H14Y	SDPA	1	1
	63.67	15.62	44.49
	112	C	C315	SDPA	1	1
	62.77	13.74	44.58
	113	H	H15X	SDPA	1	1
	61.79	14.21	44.91
	114	H	H15Y	SDPA	1	1
	62	13.34	45.13
	115	C	C316	SDPA	1	1
	63.13	13.21	43
	116	H	H16X	SDPA	1	1
	62.3	12.67	42.54
	117	H	H16Y	SDPA	1	1
	63.79	12.43	43.21
	118	C	C317	SDPA	1	1
	63.66	14.09	41.73
	119	H	H17X	SDPA	1	1
	64.11	14.99	42.15
	120	H	H17Y	SDPA	1	1
	62.89	14.45	40.98
	121	C	C318	SDPA	1	1
	64.3	13.72	40.44
	122	H	H18X	SDPA	1	1
	63.78	13.02	39.82
	123	H	H18Y	SDPA	1	1
	65.22	13.27	40.7
	124	H	H18Z	SDPA	1	1
	64.27	14.55	39.69

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

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

