# --------------------------------------------------------------------------
#
# 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 SAPI13.gro
#
#---------------------------------------------------------------------------

data_SAPI13

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

_entry.id	SAPI13

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

_chemical.entry_id	SAPI13
_chemical.name_common	'SAPI13'

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

_chemical_formula.entry_id	SAPI13
_chemical_formula.structural	'C47H84O16P2'

###############
## 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	SAPI13	1	1
	31.15	46.43	63.67
	2	H	H2	SAPI13	1	1
	30.44	47.21	63.31
	3	O	O2	SAPI13	1	1
	32.45	46.82	63.3
	4	H	HO2	SAPI13	1	1
	32.4	47.72	62.96
	5	C	C13	SAPI13	1	1
	31.06	46.3	65.18
	6	H	H3	SAPI13	1	1
	29.98	46.12	65.4
	7	O	O3	SAPI13	1	1
	31.54	47.5	65.81
	8	P	P3	SAPI13	1	1
	30.46	48.58	66.37
	9	O	OP32	SAPI13	1	1
	29.64	47.78	67.4
	10	O	OP33	SAPI13	1	1
	29.81	49.09	65.11
	11	O	OP34	SAPI13	1	1
	31.33	49.64	67.03
	12	C	C14	SAPI13	1	1
	31.92	45.2	65.76
	13	H	H4	SAPI13	1	1
	33	45.4	65.56
	14	O	O4	SAPI13	1	1
	31.71	45.12	67.2
	15	H	HO4	SAPI13	1	1
	30.76	45.32	67.33
	16	C	C15	SAPI13	1	1
	31.54	43.87	65.1
	17	H	H5	SAPI13	1	1
	30.5	43.65	65.32
	18	O	O5	SAPI13	1	1
	32.27	42.8	65.69
	19	H	HO5	SAPI13	1	1
	31.86	41.93	65.63
	20	C	C16	SAPI13	1	1
	31.65	43.94	63.58
	21	H	H6	SAPI13	1	1
	32.72	44.15	63.33
	22	O	O6	SAPI13	1	1
	31.25	42.68	63.02
	23	H	HO6	SAPI13	1	1
	30.34	42.67	62.77
	24	C	C11	SAPI13	1	1
	30.77	45.07	63.04
	25	H	H1	SAPI13	1	1
	29.72	44.86	63.39
	26	P	P	SAPI13	1	1
	29.46	45.4	60.73
	27	O	O13	SAPI13	1	1
	28.96	46.73	61.1
	28	O	O14	SAPI13	1	1
	28.52	44.24	60.91
	29	O	O12	SAPI13	1	1
	30.81	45.09	61.61
	30	O	O11	SAPI13	1	1
	29.99	45.47	59.24
	31	C	C1	SAPI13	1	1
	31.07	44.72	58.7
	32	H	HA	SAPI13	1	1
	32.02	44.81	59.29
	33	H	HB	SAPI13	1	1
	30.73	43.68	58.7
	34	C	C2	SAPI13	1	1
	31.4	45.2	57.25
	35	H	HS	SAPI13	1	1
	31.86	46.21	57.37
	36	O	O21	SAPI13	1	1
	30.2	45.18	56.45
	37	C	C21	SAPI13	1	1
	29.68	46.32	56.08
	38	O	O22	SAPI13	1	1
	30.11	47.43	56.34
	39	C	C22	SAPI13	1	1
	28.42	46.04	55.25
	40	H	H2R	SAPI13	1	1
	28.07	45	55.36
	41	H	H2S	SAPI13	1	1
	27.63	46.6	55.79
	42	C	C3	SAPI13	1	1
	32.45	44.3	56.53
	43	H	HX	SAPI13	1	1
	31.92	43.37	56.24
	44	H	HY	SAPI13	1	1
	33.28	43.98	57.21
	45	O	O31	SAPI13	1	1
	32.94	44.85	55.29
	46	C	C31	SAPI13	1	1
	33.91	45.74	55.46
	47	O	O32	SAPI13	1	1
	34.2	46.32	56.48
	48	C	C32	SAPI13	1	1
	34.64	45.82	54.18
	49	H	H2X	SAPI13	1	1
	35.42	46.61	54.14
	50	H	H2Y	SAPI13	1	1
	34	45.92	53.28
	51	C	C23	SAPI13	1	1
	28.49	46.51	53.76
	52	H	H3R	SAPI13	1	1
	29.15	47.39	53.68
	53	H	H3S	SAPI13	1	1
	27.47	46.82	53.45
	54	C	C24	SAPI13	1	1
	28.94	45.49	52.68
	55	H	H4R	SAPI13	1	1
	28.99	46.04	51.7
	56	H	H4S	SAPI13	1	1
	28.15	44.72	52.59
	57	C	C25	SAPI13	1	1
	30.25	44.8	52.96
	58	H	H5R	SAPI13	1	1
	30.16	43.95	53.65
	59	C	C26	SAPI13	1	1
	31.45	45.06	52.42
	60	H	H6R	SAPI13	1	1
	32.32	44.52	52.83
	61	C	C27	SAPI13	1	1
	31.81	46.13	51.4
	62	H	H7R	SAPI13	1	1
	31.08	46.15	50.56
	63	H	H7S	SAPI13	1	1
	32.76	45.86	50.9
	64	C	C28	SAPI13	1	1
	32.02	47.49	52
	65	H	H8R	SAPI13	1	1
	32.18	47.5	53.09
	66	C	C29	SAPI13	1	1
	31.86	48.67	51.37
	67	H	H9R	SAPI13	1	1
	32.02	49.59	51.95
	68	C	C210	SAPI13	1	1
	31.44	48.92	49.96
	69	H	H10R	SAPI13	1	1
	31.16	49.99	49.87
	70	H	H10S	SAPI13	1	1
	30.52	48.34	49.76
	71	C	C211	SAPI13	1	1
	32.52	48.62	48.97
	72	H	H11R	SAPI13	1	1
	33.44	49.21	49.09
	73	C	C212	SAPI13	1	1
	32.4	47.78	47.93
	74	H	H12R	SAPI13	1	1
	33.3	47.65	47.32
	75	C	C213	SAPI13	1	1
	31.17	46.97	47.51
	76	H	H13R	SAPI13	1	1
	31.14	47	46.4
	77	H	H13S	SAPI13	1	1
	30.22	47.47	47.78
	78	C	C214	SAPI13	1	1
	30.98	45.52	47.86
	79	H	H14R	SAPI13	1	1
	30.06	45.2	48.36
	80	C	C215	SAPI13	1	1
	31.8	44.58	47.45
	81	H	H15R	SAPI13	1	1
	31.67	43.51	47.66
	82	C	C216	SAPI13	1	1
	32.97	44.84	46.63
	83	H	H16R	SAPI13	1	1
	33.6	44.19	47.2
	84	H	H16S	SAPI13	1	1
	33.51	45.81	46.69
	85	C	C217	SAPI13	1	1
	32.66	44.37	45.21
	86	H	H17R	SAPI13	1	1
	32.42	43.3	45.14
	87	H	H17S	SAPI13	1	1
	33.63	44.35	44.83
	88	C	C218	SAPI13	1	1
	31.75	45.32	44.38
	89	H	H18R	SAPI13	1	1
	32.02	46.38	44.61
	90	H	H18S	SAPI13	1	1
	30.78	45.04	44.82
	91	C	C219	SAPI13	1	1
	31.63	45.18	42.84
	92	H	H19R	SAPI13	1	1
	31.42	44.12	42.59
	93	H	H19S	SAPI13	1	1
	32.55	45.52	42.36
	94	C	C220	SAPI13	1	1
	30.78	46.04	41.96
	95	H	H20R	SAPI13	1	1
	30.73	45.53	40.96
	96	H	H20S	SAPI13	1	1
	31.29	47.02	41.81
	97	H	H20T	SAPI13	1	1
	29.8	46.13	42.45
	98	C	C33	SAPI13	1	1
	35.31	44.49	54.11
	99	H	H3X	SAPI13	1	1
	34.74	43.54	54.16
	100	H	H3Y	SAPI13	1	1
	36.22	44.47	54.78
	101	C	C34	SAPI13	1	1
	35.86	44.56	52.79
	102	H	H4X	SAPI13	1	1
	36.42	43.61	52.86
	103	H	H4Y	SAPI13	1	1
	36.53	45.47	52.75
	104	C	C35	SAPI13	1	1
	35.11	44.4	51.5
	105	H	H5X	SAPI13	1	1
	35.92	44.75	50.82
	106	H	H5Y	SAPI13	1	1
	34.46	45.19	51.17
	107	C	C36	SAPI13	1	1
	34.51	42.97	51.3
	108	H	H6X	SAPI13	1	1
	33.95	42.71	52.2
	109	H	H6Y	SAPI13	1	1
	35.21	42.11	51.3
	110	C	C37	SAPI13	1	1
	33.81	42.83	49.93
	111	H	H7X	SAPI13	1	1
	34.47	42.69	49.08
	112	H	H7Y	SAPI13	1	1
	33.24	43.72	49.63
	113	C	C38	SAPI13	1	1
	33.11	41.55	49.69
	114	H	H8X	SAPI13	1	1
	33.75	40.64	49.83
	115	H	H8Y	SAPI13	1	1
	32.85	41.55	48.6
	116	C	C39	SAPI13	1	1
	31.9	41.72	50.61
	117	H	H9X	SAPI13	1	1
	31.34	42.61	50.3
	118	H	H9Y	SAPI13	1	1
	32.22	41.79	51.66
	119	C	C310	SAPI13	1	1
	30.95	40.6	50.55
	120	H	H10X	SAPI13	1	1
	30.12	40.39	51.23
	121	H	H10Y	SAPI13	1	1
	31.76	39.85	50.64
	122	C	C311	SAPI13	1	1
	30.36	40.47	49.22
	123	H	H11X	SAPI13	1	1
	29.72	39.59	49.06
	124	H	H11Y	SAPI13	1	1
	31.4	40.35	48.92
	125	C	C312	SAPI13	1	1
	29.7	41.48	48.37
	126	H	H12X	SAPI13	1	1
	30.47	42.26	48.41
	127	H	H12Y	SAPI13	1	1
	28.74	41.43	48.92
	128	C	C313	SAPI13	1	1
	29.49	41.11	46.91
	129	H	H13X	SAPI13	1	1
	28.94	40.14	46.78
	130	H	H13Y	SAPI13	1	1
	30.56	41.16	46.57
	131	C	C314	SAPI13	1	1
	29.15	42.09	45.83
	132	H	H14X	SAPI13	1	1
	29.94	42.88	45.94
	133	H	H14Y	SAPI13	1	1
	28.15	42.37	46.18
	134	C	C315	SAPI13	1	1
	29.21	41.56	44.37
	135	H	H15X	SAPI13	1	1
	28.5	40.72	44.19
	136	H	H15Y	SAPI13	1	1
	30.24	41.2	44.12
	137	C	C316	SAPI13	1	1
	28.98	42.64	43.32
	138	H	H16X	SAPI13	1	1
	29.8	42.6	42.57
	139	H	H16Y	SAPI13	1	1
	29.05	43.61	43.86
	140	C	C317	SAPI13	1	1
	27.67	42.45	42.54
	141	H	H17X	SAPI13	1	1
	26.82	42.58	43.24
	142	H	H17Y	SAPI13	1	1
	27.62	41.39	42.2
	143	C	C318	SAPI13	1	1
	27.5	43.36	41.31
	144	H	H18X	SAPI13	1	1
	27.78	44.42	41.52
	145	H	H18Y	SAPI13	1	1
	26.43	43.36	41.01
	146	H	H18Z	SAPI13	1	1
	28.09	43.04	40.43

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

_cell.entry_id	SAPI13
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

