# --------------------------------------------------------------------------
#
# 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 SAPG.gro
#
#---------------------------------------------------------------------------

data_SAPG

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

_entry.id	SAPG

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

_chemical.entry_id	SAPG
_chemical.name_common	'SAPG'

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

_chemical_formula.entry_id	SAPG
_chemical_formula.structural	'C44H85O10P'

###############
## 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	C	C13	SAPG	1	1
	66.11	18.88	60.41
	2	H	H13A	SAPG	1	1
	65.61	19.44	61.12
	3	H	H13B	SAPG	1	1
	65.47	17.99	60.45
	4	O	OC3	SAPG	1	1
	66.15	19.53	59.15
	5	H	HO3	SAPG	1	1
	66.57	20.39	59.3
	6	C	C12	SAPG	1	1
	67.55	18.78	60.74
	7	H	H12A	SAPG	1	1
	68	19.8	60.65
	8	O	OC2	SAPG	1	1
	67.75	18.32	62.07
	9	H	HO2	SAPG	1	1
	67.18	17.55	62.11
	10	C	C11	SAPG	1	1
	68.1	17.86	59.64
	11	H	H11A	SAPG	1	1
	67.85	18.29	58.63
	12	H	H11B	SAPG	1	1
	67.55	16.89	59.68
	13	P	P	SAPG	1	1
	70.27	17.1	58.52
	14	O	O13	SAPG	1	1
	69.84	15.71	58.26
	15	O	O14	SAPG	1	1
	71.67	17.48	58.76
	16	O	O12	SAPG	1	1
	69.5	17.72	59.77
	17	O	O11	SAPG	1	1
	69.75	18	57.33
	18	C	C1	SAPG	1	1
	70.35	19.26	57.07
	19	H	HA	SAPG	1	1
	70.02	19.98	57.86
	20	H	HB	SAPG	1	1
	71.47	19.24	57.1
	21	C	C2	SAPG	1	1
	69.97	19.69	55.61
	22	H	HS	SAPG	1	1
	70	20.73	55.32
	23	O	O21	SAPG	1	1
	68.66	19.34	55.24
	24	C	C21	SAPG	1	1
	67.79	20.03	55.95
	25	O	O22	SAPG	1	1
	68	20.92	56.74
	26	C	C22	SAPG	1	1
	66.47	19.51	55.62
	27	H	H2R	SAPG	1	1
	66.46	18.56	56.18
	28	H	H2S	SAPG	1	1
	65.65	20.14	56.01
	29	C	C3	SAPG	1	1
	70.97	19.11	54.63
	30	H	HX	SAPG	1	1
	72.01	19.34	54.93
	31	H	HY	SAPG	1	1
	70.93	19.69	53.71
	32	O	O31	SAPG	1	1
	70.57	17.73	54.53
	33	C	C31	SAPG	1	1
	71.51	16.88	54.94
	34	O	O32	SAPG	1	1
	72.65	17.19	54.96
	35	C	C32	SAPG	1	1
	71.05	15.44	54.84
	36	H	H2X	SAPG	1	1
	71.35	15	55.81
	37	H	H2Y	SAPG	1	1
	71.59	14.89	54.04
	38	C	C23	SAPG	1	1
	66.24	19.17	54.15
	39	H	H3R	SAPG	1	1
	65.24	18.81	54.2
	40	H	H3S	SAPG	1	1
	66.92	18.36	53.85
	41	C	C24	SAPG	1	1
	66.05	20.31	53.17
	42	H	H4R	SAPG	1	1
	67.01	20.88	53.24
	43	H	H4S	SAPG	1	1
	65.21	20.98	53.44
	44	C	C25	SAPG	1	1
	65.7	19.74	51.81
	45	H	H5R	SAPG	1	1
	65	18.92	51.72
	46	C	C26	SAPG	1	1
	66.19	20.21	50.67
	47	H	H6R	SAPG	1	1
	66.02	19.66	49.71
	48	C	C27	SAPG	1	1
	67.15	21.37	50.57
	49	H	H7R	SAPG	1	1
	67.55	21.91	51.44
	50	H	H7S	SAPG	1	1
	67.19	21.92	49.62
	51	C	C28	SAPG	1	1
	68.08	20.38	50.44
	52	H	H8R	SAPG	1	1
	68.37	19.99	51.47
	53	C	C29	SAPG	1	1
	68.82	20.43	49.39
	54	H	H9R	SAPG	1	1
	69.38	19.49	49.74
	55	C	C210	SAPG	1	1
	69.23	21.21	47.98
	56	H	H10R	SAPG	1	1
	69.87	22.12	48.1
	57	H	H10S	SAPG	1	1
	68.24	21.47	47.82
	58	C	C211	SAPG	1	1
	69.88	20.48	46.7
	59	H	H11R	SAPG	1	1
	70.88	19.88	46.78
	60	C	C212	SAPG	1	1
	69.63	20.23	45.44
	61	H	H12R	SAPG	1	1
	70.11	19.36	44.91
	62	C	C213	SAPG	1	1
	68.54	20.82	44.94
	63	H	H13R	SAPG	1	1
	68.71	20.33	44.02
	64	H	H13S	SAPG	1	1
	68.91	21.84	44.95
	65	C	C214	SAPG	1	1
	67.24	20.89	45.6
	66	H	H14R	SAPG	1	1
	67.16	21.37	46.51
	67	C	C215	SAPG	1	1
	66.1	20.56	45.03
	68	H	H15R	SAPG	1	1
	65.21	20.43	45.55
	69	C	C216	SAPG	1	1
	65.72	20.08	43.76
	70	H	H16R	SAPG	1	1
	66.83	19.7	43.9
	71	H	H16S	SAPG	1	1
	65.94	20.78	42.95
	72	C	C217	SAPG	1	1
	64.46	18.85	43.23
	73	H	H17R	SAPG	1	1
	63.68	19.41	42.86
	74	H	H17S	SAPG	1	1
	64.21	18.37	44.23
	75	C	C218	SAPG	1	1
	64.6	17.63	41.92
	76	H	H18R	SAPG	1	1
	63.95	16.84	41.64
	77	H	H18S	SAPG	1	1
	65.26	16.72	42.2
	78	C	C219	SAPG	1	1
	65.05	18.15	40.42
	79	H	H19R	SAPG	1	1
	65.86	18.94	40.24
	80	H	H19S	SAPG	1	1
	64.65	19.09	40.08
	81	C	C220	SAPG	1	1
	65.62	17.1	39.48
	82	H	H20R	SAPG	1	1
	65.24	16.1	39.63
	83	H	H20S	SAPG	1	1
	66.74	16.84	39.45
	84	H	H20T	SAPG	1	1
	65.35	17.62	38.56
	85	C	C33	SAPG	1	1
	69.54	15.31	54.67
	86	H	H3X	SAPG	1	1
	69.04	16.02	55.37
	87	H	H3Y	SAPG	1	1
	69.35	14.27	54.98
	88	C	C34	SAPG	1	1
	69	15.54	53.26
	89	H	H4X	SAPG	1	1
	68.99	16.62	53.01
	90	H	H4Y	SAPG	1	1
	67.98	15.26	53.28
	91	C	C35	SAPG	1	1
	69.53	14.67	52.13
	92	H	H5X	SAPG	1	1
	69.76	13.63	52.35
	93	H	H5Y	SAPG	1	1
	70.57	14.77	52.2
	94	C	C36	SAPG	1	1
	69.08	15.11	50.71
	95	H	H6X	SAPG	1	1
	68.51	16.07	50.65
	96	H	H6Y	SAPG	1	1
	68.29	14.46	50.5
	97	C	C37	SAPG	1	1
	70.17	15.01	49.66
	98	H	H7X	SAPG	1	1
	70.52	14.04	49.32
	99	H	H7Y	SAPG	1	1
	70.98	15.7	49.81
	100	C	C38	SAPG	1	1
	69.89	15.67	48.45
	101	H	H8X	SAPG	1	1
	69.4	16.52	48.78
	102	H	H8Y	SAPG	1	1
	69.05	15.24	48.03
	103	C	C39	SAPG	1	1
	71.13	15.84	47.65
	104	H	H9X	SAPG	1	1
	71.88	16.51	48.02
	105	H	H9Y	SAPG	1	1
	71.33	16.62	46.97
	106	C	C310	SAPG	1	1
	71.16	14.88	46.58
	107	H	H10X	SAPG	1	1
	70.3	14.61	45.92
	108	H	H10Y	SAPG	1	1
	71.59	14.05	47.19
	109	C	C311	SAPG	1	1
	72.21	15.44	45.76
	110	H	H11X	SAPG	1	1
	72.42	14.37	45.59
	111	H	H11Y	SAPG	1	1
	73.13	15.44	46.29
	112	C	C312	SAPG	1	1
	71.99	16.6	44.48
	113	H	H12X	SAPG	1	1
	71.84	17.65	44.62
	114	H	H12Y	SAPG	1	1
	70.97	16.28	44.42
	115	C	C313	SAPG	1	1
	72.89	16.84	42.96
	116	H	H13X	SAPG	1	1
	73.22	15.93	42.33
	117	H	H13Y	SAPG	1	1
	73.91	16.63	42.65
	118	C	C314	SAPG	1	1
	72.18	17.83	42.22
	119	H	H14X	SAPG	1	1
	72.58	18.58	42.85
	120	H	H14Y	SAPG	1	1
	71.1	17.83	42.04
	121	C	C315	SAPG	1	1
	72.46	17.95	40.92
	122	H	H15X	SAPG	1	1
	71.95	16.99	40.53
	123	H	H15Y	SAPG	1	1
	73.56	18.04	41.16
	124	C	C316	SAPG	1	1
	72.11	18.8	39.79
	125	H	H16X	SAPG	1	1
	72.35	18.57	38.75
	126	H	H16Y	SAPG	1	1
	72.68	19.72	39.97
	127	C	C317	SAPG	1	1
	70.67	18.64	39.64
	128	H	H17X	SAPG	1	1
	70.55	19.54	38.99
	129	H	H17Y	SAPG	1	1
	70.26	18.64	40.65
	130	C	C318	SAPG	1	1
	69.87	17.66	38.95
	131	H	H18X	SAPG	1	1
	70.26	17.76	37.94
	132	H	H18Y	SAPG	1	1
	68.79	17.94	38.98
	133	H	H18Z	SAPG	1	1
	70.02	16.7	39.44

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

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

