# --------------------------------------------------------------------------
#
# 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 SAPI.gro
#
#---------------------------------------------------------------------------

data_SAPI

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

_entry.id	SAPI

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

_chemical.entry_id	SAPI
_chemical.name_common	'SAPI'

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

_chemical_formula.entry_id	SAPI
_chemical_formula.structural	'C47H91O13P'

###############
## 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	C12	SAPI	1	1
	13.33	48.07	62.17
	2	H	H2	SAPI	1	1
	12.43	47.73	61.61
	3	O	O2	SAPI	1	1
	13.88	49.14	61.43
	4	H	HO2	SAPI	1	1
	13.56	49.06	60.52
	5	C	C13	SAPI	1	1
	12.83	48.55	63.53
	6	H	H3	SAPI	1	1
	12.36	47.68	64.04
	7	O	O3	SAPI	1	1
	11.78	49.49	63.4
	8	H	HO3	SAPI	1	1
	12.28	50.27	63.08
	9	C	C14	SAPI	1	1
	13.96	49.07	64.42
	10	H	H4	SAPI	1	1
	14.52	49.93	63.99
	11	O	O4	SAPI	1	1
	13.41	49.44	65.71
	12	H	HO4	SAPI	1	1
	12.47	49.32	65.61
	13	C	C15	SAPI	1	1
	14.96	47.95	64.54
	14	H	H5	SAPI	1	1
	14.32	47.14	64.92
	15	O	O5	SAPI	1	1
	15.94	48.19	65.56
	16	H	HO5	SAPI	1	1
	15.97	47.37	66.07
	17	C	C16	SAPI	1	1
	15.48	47.45	63.18
	18	H	H6	SAPI	1	1
	16	48.31	62.7
	19	O	O6	SAPI	1	1
	16.42	46.39	63.35
	20	H	HO6	SAPI	1	1
	17.2	46.58	62.81
	21	C	C11	SAPI	1	1
	14.33	46.94	62.31
	22	H	H1	SAPI	1	1
	13.86	46.1	62.89
	23	P	P	SAPI	1	1
	13.97	45.25	60.23
	24	O	O13	SAPI	1	1
	12.71	45.84	59.74
	25	O	O14	SAPI	1	1
	13.85	44.06	61.11
	26	O	O12	SAPI	1	1
	14.78	46.43	61.03
	27	O	O11	SAPI	1	1
	14.91	44.96	58.99
	28	C	C1	SAPI	1	1
	16.24	44.43	59.01
	29	H	HA	SAPI	1	1
	16.93	45.29	58.86
	30	H	HB	SAPI	1	1
	16.52	43.98	59.98
	31	C	C2	SAPI	1	1
	16.43	43.35	57.88
	32	H	HS	SAPI	1	1
	17.47	42.96	57.91
	33	O	O21	SAPI	1	1
	16.17	43.86	56.57
	34	C	C21	SAPI	1	1
	16.89	44.85	56.16
	35	O	O22	SAPI	1	1
	17.9	45.3	56.68
	36	C	C22	SAPI	1	1
	16.36	45.24	54.81
	37	H	H2R	SAPI	1	1
	16.76	44.52	54.06
	38	H	H2S	SAPI	1	1
	15.26	45.16	54.79
	39	C	C3	SAPI	1	1
	15.47	42.14	58.08
	40	H	HX	SAPI	1	1
	15.63	41.74	59.1
	41	H	HY	SAPI	1	1
	15.72	41.33	57.36
	42	O	O31	SAPI	1	1
	14.1	42.53	57.99
	43	C	C31	SAPI	1	1
	13.51	42.4	56.83
	44	O	O32	SAPI	1	1
	13.91	41.8	55.85
	45	C	C32	SAPI	1	1
	12.22	43.18	56.94
	46	H	H2X	SAPI	1	1
	11.82	43.16	57.97
	47	H	H2Y	SAPI	1	1
	11.45	42.69	56.31
	48	C	C23	SAPI	1	1
	16.77	46.67	54.46
	49	H	H3R	SAPI	1	1
	17.87	46.83	54.57
	50	H	H3S	SAPI	1	1
	16.27	47.37	55.16
	51	C	C24	SAPI	1	1
	16.35	46.87	53.02
	52	H	H4R	SAPI	1	1
	15.24	46.91	52.93
	53	H	H4S	SAPI	1	1
	16.73	46.11	52.32
	54	C	C25	SAPI	1	1
	17.04	47.95	52.38
	55	H	H5R	SAPI	1	1
	17.98	48.35	52.87
	56	C	C26	SAPI	1	1
	16.29	48.8	51.73
	57	H	H6R	SAPI	1	1
	16.97	49.62	52.02
	58	C	C27	SAPI	1	1
	14.68	48.99	51.46
	59	H	H7R	SAPI	1	1
	14.06	49.62	52.11
	60	H	H7S	SAPI	1	1
	14	48.19	51.81
	61	C	C28	SAPI	1	1
	14.16	50.06	50.55
	62	H	H8R	SAPI	1	1
	13.91	51.09	50.83
	63	C	C29	SAPI	1	1
	13.99	49.86	49.34
	64	H	H9R	SAPI	1	1
	14.03	50.78	48.75
	65	C	C210	SAPI	1	1
	14.3	48.52	48.88
	66	H	H10R	SAPI	1	1
	13.29	48.21	48.62
	67	H	H10S	SAPI	1	1
	14.67	47.78	49.61
	68	C	C211	SAPI	1	1
	15.22	48.38	47.77
	69	H	H11R	SAPI	1	1
	16.23	48.05	48.03
	70	C	C212	SAPI	1	1
	15.03	48.95	46.61
	71	H	H12R	SAPI	1	1
	15.78	48.76	45.87
	72	C	C213	SAPI	1	1
	13.93	49.84	46.18
	73	H	H13R	SAPI	1	1
	14.29	50.53	45.4
	74	H	H13S	SAPI	1	1
	13.61	50.54	46.96
	75	C	C214	SAPI	1	1
	12.82	49.01	45.7
	76	H	H14R	SAPI	1	1
	12.01	48.94	46.44
	77	C	C215	SAPI	1	1
	12.65	48.68	44.42
	78	H	H15R	SAPI	1	1
	11.67	48.28	44.12
	79	C	C216	SAPI	1	1
	13.54	49.14	43.27
	80	H	H16R	SAPI	1	1
	13.86	50.22	43.36
	81	H	H16S	SAPI	1	1
	12.98	48.99	42.34
	82	C	C217	SAPI	1	1
	14.78	48.46	42.85
	83	H	H17R	SAPI	1	1
	14.44	47.43	42.67
	84	H	H17S	SAPI	1	1
	15.39	48.52	43.76
	85	C	C218	SAPI	1	1
	15.56	49.12	41.69
	86	H	H18R	SAPI	1	1
	16.55	48.65	41.7
	87	H	H18S	SAPI	1	1
	15.62	50.21	41.84
	88	C	C219	SAPI	1	1
	15.01	49.09	40.28
	89	H	H19R	SAPI	1	1
	15.61	49.7	39.56
	90	H	H19S	SAPI	1	1
	14.05	49.55	40.33
	91	C	C220	SAPI	1	1
	14.56	47.76	39.8
	92	H	H20R	SAPI	1	1
	15.41	47.11	40.01
	93	H	H20S	SAPI	1	1
	14.33	47.85	38.72
	94	H	H20T	SAPI	1	1
	13.68	47.4	40.37
	95	C	C33	SAPI	1	1
	12.5	44.62	56.5
	96	H	H3X	SAPI	1	1
	13.45	45.06	56.86
	97	H	H3Y	SAPI	1	1
	11.71	45.27	56.94
	98	C	C34	SAPI	1	1
	12.68	44.63	54.98
	99	H	H4X	SAPI	1	1
	13.48	43.98	54.61
	100	H	H4Y	SAPI	1	1
	12.75	45.69	54.62
	101	C	C35	SAPI	1	1
	11.67	43.91	54.17
	102	H	H5X	SAPI	1	1
	11.03	44.19	54.98
	103	H	H5Y	SAPI	1	1
	11.16	42.93	54.2
	104	C	C36	SAPI	1	1
	11.47	44.65	52.88
	105	H	H6X	SAPI	1	1
	11.52	45.78	52.9
	106	H	H6Y	SAPI	1	1
	10.48	44.2	52.62
	107	C	C37	SAPI	1	1
	12.1	44.24	51.71
	108	H	H7X	SAPI	1	1
	11.46	44.46	50.81
	109	H	H7Y	SAPI	1	1
	12.14	43.16	52
	110	C	C38	SAPI	1	1
	13.36	44.98	51.72
	111	H	H8X	SAPI	1	1
	13.65	45.24	52.76
	112	H	H8Y	SAPI	1	1
	13.21	45.94	51.2
	113	C	C39	SAPI	1	1
	14.26	43.93	51.16
	114	H	H9X	SAPI	1	1
	14.16	43	51.77
	115	H	H9Y	SAPI	1	1
	15.27	44.34	51.21
	116	C	C310	SAPI	1	1
	13.88	43.59	49.72
	117	H	H10X	SAPI	1	1
	12.95	43.01	49.68
	118	H	H10Y	SAPI	1	1
	14.65	42.89	49.34
	119	C	C311	SAPI	1	1
	13.76	44.84	48.85
	120	H	H11X	SAPI	1	1
	14.64	45.48	49.05
	121	H	H11Y	SAPI	1	1
	12.86	45.45	49.12
	122	C	C312	SAPI	1	1
	13.7	44.5	47.37
	123	H	H12X	SAPI	1	1
	13.5	45.44	46.81
	124	H	H12Y	SAPI	1	1
	12.86	43.8	47.19
	125	C	C313	SAPI	1	1
	15.01	43.87	46.88
	126	H	H13X	SAPI	1	1
	15.01	42.78	47.12
	127	H	H13Y	SAPI	1	1
	15.87	44.34	47.41
	128	C	C314	SAPI	1	1
	15.27	44.1	45.4
	129	H	H14X	SAPI	1	1
	16.16	43.5	45.1
	130	H	H14Y	SAPI	1	1
	15.53	45.18	45.28
	131	C	C315	SAPI	1	1
	14.08	43.74	44.51
	132	H	H15X	SAPI	1	1
	13.26	44.48	44.64
	133	H	H15Y	SAPI	1	1
	13.69	42.74	44.84
	134	C	C316	SAPI	1	1
	14.46	43.66	43.03
	135	H	H16X	SAPI	1	1
	15.43	43.11	42.98
	136	H	H16Y	SAPI	1	1
	14.63	44.69	42.66
	137	C	C317	SAPI	1	1
	13.38	42.97	42.17
	138	H	H17X	SAPI	1	1
	13.06	42.05	42.7
	139	H	H17Y	SAPI	1	1
	13.83	42.62	41.21
	140	C	C318	SAPI	1	1
	12.14	43.83	41.9
	141	H	H18X	SAPI	1	1
	12.36	44.62	41.15
	142	H	H18Y	SAPI	1	1
	11.8	44.32	42.83
	143	H	H18Z	SAPI	1	1
	11.3	43.2	41.53

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

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

