# --------------------------------------------------------------------------
#
# 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 SAPI14.gro
#
#---------------------------------------------------------------------------

data_SAPI14

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

_entry.id	SAPI14

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

_chemical.entry_id	SAPI14
_chemical.name_common	'SAPI14'

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

_chemical_formula.entry_id	SAPI14
_chemical_formula.structural	'C47H88O16P2'

###############
## 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	SAPI14	1	1
	41.78	15.55	63.26
	2	H	H2	SAPI14	1	1
	42.69	16.18	63.12
	3	O	O2	SAPI14	1	1
	42.12	14.24	62.82
	4	H	HO2	SAPI14	1	1
	43.07	14.21	62.86
	5	C	C13	SAPI14	1	1
	41.49	15.57	64.76
	6	H	H3	SAPI14	1	1
	41.37	16.63	65.07
	7	O	O3	SAPI14	1	1
	42.6	15.03	65.46
	8	H	HO3	SAPI14	1	1
	42.44	14.07	65.47
	9	C	C14	SAPI14	1	1
	40.21	14.81	65.12
	10	H	H4	SAPI14	1	1
	40.26	13.72	64.87
	11	O	O4	SAPI14	1	1
	39.95	15.11	66.51
	12	P	P4	SAPI14	1	1
	39.93	13.9	67.6
	13	O	OP42	SAPI14	1	1
	39.28	14.52	68.83
	14	O	OP43	SAPI14	1	1
	39.05	12.84	66.98
	15	O	OP44	SAPI14	1	1
	41.4	13.61	67.86
	16	C	C15	SAPI14	1	1
	39.1	15.43	64.34
	17	H	H5	SAPI14	1	1
	39.13	16.44	64.75
	18	O	O5	SAPI14	1	1
	37.78	14.93	64.64
	19	H	HO5	SAPI14	1	1
	37.45	14.49	63.85
	20	C	C16	SAPI14	1	1
	39.39	15.39	62.84
	21	H	H6	SAPI14	1	1
	39.47	14.33	62.53
	22	O	O6	SAPI14	1	1
	38.26	15.82	62.13
	23	H	HO6	SAPI14	1	1
	38.43	15.82	61.19
	24	C	C11	SAPI14	1	1
	40.65	16.16	62.45
	25	H	H1	SAPI14	1	1
	40.56	17.24	62.75
	26	P	P	SAPI14	1	1
	41.97	17.1	60.28
	27	O	O13	SAPI14	1	1
	43.31	16.99	60.89
	28	O	O14	SAPI14	1	1
	41.46	18.48	60.27
	29	O	O12	SAPI14	1	1
	40.93	16.06	61.03
	30	O	O11	SAPI14	1	1
	42.1	16.58	58.81
	31	C	C1	SAPI14	1	1
	42.74	15.33	58.53
	32	H	HA	SAPI14	1	1
	43.73	15.49	58.04
	33	H	HB	SAPI14	1	1
	42.95	14.72	59.45
	34	C	C2	SAPI14	1	1
	41.84	14.47	57.61
	35	H	HS	SAPI14	1	1
	42.52	13.82	57.01
	36	O	O21	SAPI14	1	1
	40.98	15.28	56.77
	37	C	C21	SAPI14	1	1
	41.49	15.6	55.6
	38	O	O22	SAPI14	1	1
	42.59	15.31	55.19
	39	C	C22	SAPI14	1	1
	40.38	16.21	54.73
	40	H	H2R	SAPI14	1	1
	39.74	15.35	54.45
	41	H	H2S	SAPI14	1	1
	39.78	16.9	55.35
	42	C	C3	SAPI14	1	1
	40.97	13.53	58.49
	43	H	HX	SAPI14	1	1
	40.44	14.17	59.24
	44	H	HY	SAPI14	1	1
	41.61	12.83	59.07
	45	O	O31	SAPI14	1	1
	39.99	12.85	57.7
	46	C	C31	SAPI14	1	1
	40.38	11.77	57.05
	47	O	O32	SAPI14	1	1
	41.45	11.22	57.12
	48	C	C32	SAPI14	1	1
	39.31	11.4	56.02
	49	H	H2X	SAPI14	1	1
	38.32	11.51	56.51
	50	H	H2Y	SAPI14	1	1
	39.42	10.34	55.73
	51	C	C23	SAPI14	1	1
	40.88	16.88	53.42
	52	H	H3R	SAPI14	1	1
	41.79	16.37	53.03
	53	H	H3S	SAPI14	1	1
	41.17	17.93	53.63
	54	C	C24	SAPI14	1	1
	39.8	16.91	52.31
	55	H	H4R	SAPI14	1	1
	40.18	17.58	51.51
	56	H	H4S	SAPI14	1	1
	38.9	17.42	52.71
	57	C	C25	SAPI14	1	1
	39.41	15.53	51.78
	58	H	H5R	SAPI14	1	1
	39.3	14.74	52.54
	59	C	C26	SAPI14	1	1
	39.16	15.19	50.51
	60	H	H6R	SAPI14	1	1
	38.83	14.16	50.3
	61	C	C27	SAPI14	1	1
	39.21	16.12	49.32
	62	H	H7R	SAPI14	1	1
	39.48	17.13	49.68
	63	H	H7S	SAPI14	1	1
	38.18	16.21	48.92
	64	C	C28	SAPI14	1	1
	40.18	15.79	48.21
	65	H	H8R	SAPI14	1	1
	41.12	15.32	48.53
	66	C	C29	SAPI14	1	1
	40.02	16.04	46.89
	67	H	H9R	SAPI14	1	1
	40.87	15.8	46.23
	68	C	C210	SAPI14	1	1
	38.84	16.7	46.24
	69	H	H10R	SAPI14	1	1
	39	17.8	46.34
	70	H	H10S	SAPI14	1	1
	37.88	16.54	46.78
	71	C	C211	SAPI14	1	1
	38.6	16.27	44.8
	72	H	H11R	SAPI14	1	1
	38.01	15.37	44.61
	73	C	C212	SAPI14	1	1
	39.12	16.84	43.72
	74	H	H12R	SAPI14	1	1
	38.65	16.67	42.74
	75	C	C213	SAPI14	1	1
	40	18.02	43.78
	76	H	H13R	SAPI14	1	1
	39.71	18.63	44.68
	77	H	H13S	SAPI14	1	1
	39.73	18.45	42.83
	78	C	C214	SAPI14	1	1
	41.42	18.28	43.74
	79	H	H14R	SAPI14	1	1
	41.77	18.09	44.75
	80	C	C215	SAPI14	1	1
	42.17	18.96	42.83
	81	H	H15R	SAPI14	1	1
	43.23	18.85	43.04
	82	C	C216	SAPI14	1	1
	41.9	19.7	41.52
	83	H	H16R	SAPI14	1	1
	41.95	20.8	41.66
	84	H	H16S	SAPI14	1	1
	40.94	19.5	41.07
	85	C	C217	SAPI14	1	1
	42.76	19.39	40.3
	86	H	H17R	SAPI14	1	1
	43.82	19.57	40.59
	87	H	H17S	SAPI14	1	1
	42.5	20.09	39.47
	88	C	C218	SAPI14	1	1
	42.48	17.98	39.79
	89	H	H18R	SAPI14	1	1
	41.44	17.88	39.41
	90	H	H18S	SAPI14	1	1
	42.68	17.23	40.6
	91	C	C219	SAPI14	1	1
	43.37	17.62	38.65
	92	H	H19R	SAPI14	1	1
	43.19	18.28	37.76
	93	H	H19S	SAPI14	1	1
	43.22	16.57	38.4
	94	C	C220	SAPI14	1	1
	44.77	17.64	39.13
	95	H	H20R	SAPI14	1	1
	45.1	18.7	39.01
	96	H	H20S	SAPI14	1	1
	45.34	16.98	38.48
	97	H	H20T	SAPI14	1	1
	45.03	17.26	40.12
	98	C	C33	SAPI14	1	1
	39.4	12.32	54.78
	99	H	H3X	SAPI14	1	1
	40.18	13.11	54.89
	100	H	H3Y	SAPI14	1	1
	38.43	12.86	54.72
	101	C	C34	SAPI14	1	1
	39.55	11.57	53.44
	102	H	H4X	SAPI14	1	1
	39.47	12.34	52.64
	103	H	H4Y	SAPI14	1	1
	38.66	10.89	53.38
	104	C	C35	SAPI14	1	1
	40.78	10.68	53.16
	105	H	H5X	SAPI14	1	1
	40.7	10.34	52.1
	106	H	H5Y	SAPI14	1	1
	40.73	9.77	53.8
	107	C	C36	SAPI14	1	1
	42.18	11.29	53.39
	108	H	H6X	SAPI14	1	1
	42.96	10.5	53.25
	109	H	H6Y	SAPI14	1	1
	42.23	11.59	54.47
	110	C	C37	SAPI14	1	1
	42.54	12.52	52.54
	111	H	H7X	SAPI14	1	1
	43.61	12.77	52.73
	112	H	H7Y	SAPI14	1	1
	41.94	13.36	52.93
	113	C	C38	SAPI14	1	1
	42.34	12.38	51.02
	114	H	H8X	SAPI14	1	1
	41.28	12.13	50.79
	115	H	H8Y	SAPI14	1	1
	42.98	11.57	50.61
	116	C	C39	SAPI14	1	1
	42.71	13.65	50.27
	117	H	H9X	SAPI14	1	1
	43.63	14.1	50.73
	118	H	H9Y	SAPI14	1	1
	41.87	14.38	50.37
	119	C	C310	SAPI14	1	1
	42.97	13.43	48.77
	120	H	H10X	SAPI14	1	1
	43.93	12.9	48.62
	121	H	H10Y	SAPI14	1	1
	43.05	14.44	48.3
	122	C	C311	SAPI14	1	1
	41.86	12.61	48.08
	123	H	H11X	SAPI14	1	1
	40.86	12.97	48.38
	124	H	H11Y	SAPI14	1	1
	41.95	11.56	48.43
	125	C	C312	SAPI14	1	1
	41.98	12.62	46.55
	126	H	H12X	SAPI14	1	1
	43	12.27	46.28
	127	H	H12Y	SAPI14	1	1
	41.88	13.67	46.19
	128	C	C313	SAPI14	1	1
	40.92	11.77	45.82
	129	H	H13X	SAPI14	1	1
	39.95	12.32	45.85
	130	H	H13Y	SAPI14	1	1
	40.77	10.82	46.37
	131	C	C314	SAPI14	1	1
	41.29	11.5	44.34
	132	H	H14X	SAPI14	1	1
	40.53	10.85	43.86
	133	H	H14Y	SAPI14	1	1
	42.26	10.95	44.33
	134	C	C315	SAPI14	1	1
	41.46	12.79	43.5
	135	H	H15X	SAPI14	1	1
	42.03	13.52	44.1
	136	H	H15Y	SAPI14	1	1
	40.45	13.22	43.3
	137	C	C316	SAPI14	1	1
	42.17	12.66	42.14
	138	H	H16X	SAPI14	1	1
	41.6	11.96	41.5
	139	H	H16Y	SAPI14	1	1
	43.21	12.27	42.24
	140	C	C317	SAPI14	1	1
	42.27	14.02	41.41
	141	H	H17X	SAPI14	1	1
	43.17	14.01	40.76
	142	H	H17Y	SAPI14	1	1
	42.45	14.81	42.17
	143	C	C318	SAPI14	1	1
	41.05	14.39	40.57
	144	H	H18X	SAPI14	1	1
	40.28	14.86	41.21
	145	H	H18Y	SAPI14	1	1
	40.6	13.49	40.09
	146	H	H18Z	SAPI14	1	1
	41.31	15.12	39.77

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

_cell.entry_id	SAPI14
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

