# --------------------------------------------------------------------------
#
# 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 SAPI15.gro
#
#---------------------------------------------------------------------------

data_SAPI15

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

_entry.id	SAPI15

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

_chemical.entry_id	SAPI15
_chemical.name_common	'SAPI15'

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

_chemical_formula.entry_id	SAPI15
_chemical_formula.structural	'C47H86O16P2'

###############
## 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	SAPI15	1	1
	23.03	2.92	62.59
	2	H	H2	SAPI15	1	1
	23.47	3.62	61.85
	3	O	O2	SAPI15	1	1
	23.71	1.72	62.31
	4	H	HO2	SAPI15	1	1
	24.16	1.5	63.15
	5	C	C13	SAPI15	1	1
	23.29	3.48	63.96
	6	H	H3	SAPI15	1	1
	22.73	4.43	64.03
	7	O	O3	SAPI15	1	1
	24.66	3.84	64.04
	8	H	HO3	SAPI15	1	1
	24.72	4.67	64.51
	9	C	C14	SAPI15	1	1
	22.7	2.64	65.1
	10	H	H4	SAPI15	1	1
	23.15	1.61	65.1
	11	O	O4	SAPI15	1	1
	23.04	3.26	66.34
	12	H	HO4	SAPI15	1	1
	23.8	2.75	66.65
	13	C	C15	SAPI15	1	1
	21.17	2.61	64.85
	14	H	H5	SAPI15	1	1
	20.79	3.63	64.8
	15	O	O5	SAPI15	1	1
	20.37	1.98	65.82
	16	P	P5	SAPI15	1	1
	20.88	0.55	66.37
	17	O	OP52	SAPI15	1	1
	21.56	-0.18	65.23
	18	O	OP53	SAPI15	1	1
	19.72	-0.33	66.76
	19	O	OP54	SAPI15	1	1
	21.87	0.75	67.51
	20	C	C16	SAPI15	1	1
	20.91	2.01	63.49
	21	H	H6	SAPI15	1	1
	21.54	1.11	63.56
	22	O	O6	SAPI15	1	1
	19.5	1.83	63.13
	23	H	HO6	SAPI15	1	1
	19.14	0.97	63.4
	24	C	C11	SAPI15	1	1
	21.55	2.82	62.4
	25	H	H1	SAPI15	1	1
	21.09	3.82	62.53
	26	P	P	SAPI15	1	1
	21.09	3.19	59.79
	27	O	O13	SAPI15	1	1
	22.36	3.89	59.5
	28	O	O14	SAPI15	1	1
	19.82	3.9	59.97
	29	O	O12	SAPI15	1	1
	21.32	2.23	61.11
	30	O	O11	SAPI15	1	1
	20.76	2.16	58.67
	31	C	C1	SAPI15	1	1
	20.37	0.85	58.96
	32	H	HA	SAPI15	1	1
	19.63	0.87	59.8
	33	H	HB	SAPI15	1	1
	19.86	0.63	58.04
	34	C	C2	SAPI15	1	1
	21.59	-0.13	59.15
	35	H	HS	SAPI15	1	1
	21.87	-0.07	60.21
	36	O	O21	SAPI15	1	1
	22.61	0.54	58.46
	37	C	C21	SAPI15	1	1
	23.78	0.07	58.77
	38	O	O22	SAPI15	1	1
	23.96	-0.57	59.79
	39	C	C22	SAPI15	1	1
	24.82	0.54	57.74
	40	H	H2R	SAPI15	1	1
	25.83	0.28	58.07
	41	H	H2S	SAPI15	1	1
	24.68	0.11	56.74
	42	C	C3	SAPI15	1	1
	21.38	-1.66	58.64
	43	H	HX	SAPI15	1	1
	20.82	-2.42	59.2
	44	H	HY	SAPI15	1	1
	22.27	-2.32	58.76
	45	O	O31	SAPI15	1	1
	20.56	-1.76	57.48
	46	C	C31	SAPI15	1	1
	21.11	-2.41	56.49
	47	O	O32	SAPI15	1	1
	22.25	-2.83	56.49
	48	C	C32	SAPI15	1	1
	20.22	-2.31	55.24
	49	H	H2X	SAPI15	1	1
	19.21	-2.67	55.5
	50	H	H2Y	SAPI15	1	1
	20.73	-3.03	54.57
	51	C	C23	SAPI15	1	1
	24.68	2.04	57.53
	52	H	H3R	SAPI15	1	1
	25.7	2.46	57.39
	53	H	H3S	SAPI15	1	1
	24.27	2.46	58.47
	54	C	C24	SAPI15	1	1
	23.76	2.42	56.34
	55	H	H4R	SAPI15	1	1
	22.72	2.08	56.54
	56	H	H4S	SAPI15	1	1
	24.06	1.95	55.38
	57	C	C25	SAPI15	1	1
	23.75	3.9	56.21
	58	H	H5R	SAPI15	1	1
	24.52	4.43	56.8
	59	C	C26	SAPI15	1	1
	22.88	4.59	55.47
	60	H	H6R	SAPI15	1	1
	22.92	5.68	55.5
	61	C	C27	SAPI15	1	1
	21.75	4.09	54.61
	62	H	H7R	SAPI15	1	1
	20.82	4.55	54.98
	63	H	H7S	SAPI15	1	1
	21.61	2.99	54.69
	64	C	C28	SAPI15	1	1
	22.04	4.57	53.21
	65	H	H8R	SAPI15	1	1
	22.39	5.59	53.15
	66	C	C29	SAPI15	1	1
	22.01	3.89	52.06
	67	H	H9R	SAPI15	1	1
	22.29	4.42	51.14
	68	C	C210	SAPI15	1	1
	21.66	2.44	51.91
	69	H	H10R	SAPI15	1	1
	21.27	2.25	50.89
	70	H	H10S	SAPI15	1	1
	20.83	2.15	52.6
	71	C	C211	SAPI15	1	1
	22.77	1.49	52.18
	72	H	H11R	SAPI15	1	1
	22.88	1.15	53.23
	73	C	C212	SAPI15	1	1
	23.67	1.1	51.28
	74	H	H12R	SAPI15	1	1
	24.42	0.38	51.63
	75	C	C213	SAPI15	1	1
	23.77	1.52	49.83
	76	H	H13R	SAPI15	1	1
	22.77	1.53	49.38
	77	H	H13S	SAPI15	1	1
	24.39	0.8	49.25
	78	C	C214	SAPI15	1	1
	24.28	2.89	49.58
	79	H	H14R	SAPI15	1	1
	24.66	3.46	50.45
	80	C	C215	SAPI15	1	1
	24.52	3.4	48.38
	81	H	H15R	SAPI15	1	1
	24.76	4.46	48.39
	82	C	C216	SAPI15	1	1
	24.38	2.78	47.01
	83	H	H16R	SAPI15	1	1
	23.3	2.9	46.78
	84	H	H16S	SAPI15	1	1
	24.65	1.71	47.04
	85	C	C217	SAPI15	1	1
	25.08	3.42	45.78
	86	H	H17R	SAPI15	1	1
	26.18	3.58	45.89
	87	H	H17S	SAPI15	1	1
	24.6	4.41	45.66
	88	C	C218	SAPI15	1	1
	24.81	2.65	44.48
	89	H	H18R	SAPI15	1	1
	23.71	2.47	44.49
	90	H	H18S	SAPI15	1	1
	25.3	1.65	44.5
	91	C	C219	SAPI15	1	1
	25.17	3.42	43.2
	92	H	H19R	SAPI15	1	1
	26.27	3.48	43.07
	93	H	H19S	SAPI15	1	1
	24.83	4.48	43.34
	94	C	C220	SAPI15	1	1
	24.53	2.85	41.92
	95	H	H20R	SAPI15	1	1
	24.6	3.56	41.08
	96	H	H20S	SAPI15	1	1
	23.45	2.62	42.08
	97	H	H20T	SAPI15	1	1
	25.02	1.89	41.62
	98	C	C33	SAPI15	1	1
	20.11	-0.93	54.52
	99	H	H3X	SAPI15	1	1
	20.05	-1.09	53.43
	100	H	H3Y	SAPI15	1	1
	20.98	-0.26	54.63
	101	C	C34	SAPI15	1	1
	18.88	-0.14	54.98
	102	H	H4X	SAPI15	1	1
	19.05	0.08	56.04
	103	H	H4Y	SAPI15	1	1
	17.95	-0.73	54.85
	104	C	C35	SAPI15	1	1
	18.73	1.24	54.36
	105	H	H5X	SAPI15	1	1
	18.89	1.2	53.26
	106	H	H5Y	SAPI15	1	1
	19.51	1.92	54.79
	107	C	C36	SAPI15	1	1
	17.34	1.83	54.58
	108	H	H6X	SAPI15	1	1
	17.15	2.01	55.66
	109	H	H6Y	SAPI15	1	1
	16.56	1.12	54.22
	110	C	C37	SAPI15	1	1
	17.37	3.18	53.85
	111	H	H7X	SAPI15	1	1
	18.36	3.62	53.99
	112	H	H7Y	SAPI15	1	1
	16.84	3.93	54.44
	113	C	C38	SAPI15	1	1
	17.05	3.13	52.34
	114	H	H8X	SAPI15	1	1
	15.95	3.2	52.15
	115	H	H8Y	SAPI15	1	1
	17.3	2.14	51.91
	116	C	C39	SAPI15	1	1
	17.81	4.22	51.52
	117	H	H9X	SAPI15	1	1
	18.88	4.27	51.78
	118	H	H9Y	SAPI15	1	1
	17.46	5.26	51.65
	119	C	C310	SAPI15	1	1
	17.72	3.85	50.04
	120	H	H10X	SAPI15	1	1
	16.66	3.66	49.76
	121	H	H10Y	SAPI15	1	1
	18.27	2.88	50.01
	122	C	C311	SAPI15	1	1
	18.39	4.87	49.11
	123	H	H11X	SAPI15	1	1
	19.33	5.23	49.6
	124	H	H11Y	SAPI15	1	1
	17.72	5.75	48.98
	125	C	C312	SAPI15	1	1
	18.78	4.31	47.73
	126	H	H12X	SAPI15	1	1
	19.01	5.17	47.06
	127	H	H12Y	SAPI15	1	1
	17.92	3.75	47.3
	128	C	C313	SAPI15	1	1
	20.04	3.42	47.78
	129	H	H13X	SAPI15	1	1
	19.89	2.59	48.51
	130	H	H13Y	SAPI15	1	1
	20.9	4.02	48.13
	131	C	C314	SAPI15	1	1
	20.46	2.82	46.42
	132	H	H14X	SAPI15	1	1
	21.37	2.2	46.59
	133	H	H14Y	SAPI15	1	1
	20.72	3.63	45.7
	134	C	C315	SAPI15	1	1
	19.39	1.96	45.77
	135	H	H15X	SAPI15	1	1
	18.59	2.64	45.39
	136	H	H15Y	SAPI15	1	1
	18.96	1.28	46.54
	137	C	C316	SAPI15	1	1
	19.92	1.09	44.63
	138	H	H16X	SAPI15	1	1
	19.14	0.32	44.43
	139	H	H16Y	SAPI15	1	1
	20.86	0.58	44.94
	140	C	C317	SAPI15	1	1
	20.17	1.89	43.35
	141	H	H17X	SAPI15	1	1
	21.21	2.3	43.4
	142	H	H17Y	SAPI15	1	1
	19.47	2.76	43.37
	143	C	C318	SAPI15	1	1
	19.93	1.12	42.05
	144	H	H18X	SAPI15	1	1
	20.17	1.74	41.16
	145	H	H18Y	SAPI15	1	1
	18.86	0.81	41.99
	146	H	H18Z	SAPI15	1	1
	20.55	0.19	42

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

_cell.entry_id	SAPI15
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

