# --------------------------------------------------------------------------
#
# 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 SAPI33.gro
#
#---------------------------------------------------------------------------

data_SAPI33

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

_entry.id	SAPI33

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

_chemical.entry_id	SAPI33
_chemical.name_common	'SAPI33'

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

_chemical_formula.entry_id	SAPI33
_chemical_formula.structural	'C47H86O22P4'

###############
## 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	SAPI33	1	1
	21.83	39.53	63.81
	2	H	H2	SAPI33	1	1
	20.9	39.9	63.34
	3	O	O2	SAPI33	1	1
	22.73	40.64	64.07
	4	H	HO2	SAPI33	1	1
	23.52	40.2	64.43
	5	C	C13	SAPI33	1	1
	21.51	38.77	65.09
	6	H	H3	SAPI33	1	1
	20.86	37.88	64.91
	7	O	O3	SAPI33	1	1
	20.85	39.65	65.94
	8	P	P3	SAPI33	1	1
	19.36	40.16	65.64
	9	O	OP32	SAPI33	1	1
	19.7	41.71	65.42
	10	H	HP32	SAPI33	1	1
	20.11	41.95	64.59
	11	O	OP33	SAPI33	1	1
	18.72	39.47	64.49
	12	O	OP34	SAPI33	1	1
	18.71	40.28	67.02
	13	C	C14	SAPI33	1	1
	22.77	38.22	65.69
	14	H	H4	SAPI33	1	1
	23.43	39.1	65.78
	15	O	O4	SAPI33	1	1
	22.73	37.77	67.06
	16	P	P4	SAPI33	1	1
	21.65	36.71	67.59
	17	O	OP42	SAPI33	1	1
	20.53	37.58	68.07
	18	O	OP43	SAPI33	1	1
	22.23	36.03	68.85
	19	O	OP44	SAPI33	1	1
	21.25	35.91	66.42
	20	C	C15	SAPI33	1	1
	23.28	37.22	64.58
	21	H	H5	SAPI33	1	1
	22.5	36.48	64.4
	22	O	O5	SAPI33	1	1
	24.27	36.31	65.01
	23	P	P5	SAPI33	1	1
	25.65	37.01	65.23
	24	O	OP52	SAPI33	1	1
	26.11	37.39	63.81
	25	O	OP53	SAPI33	1	1
	26.64	36.03	65.85
	26	O	OP54	SAPI33	1	1
	25.4	38.25	66.11
	27	C	C16	SAPI33	1	1
	23.62	37.98	63.26
	28	H	H6	SAPI33	1	1
	24.34	38.81	63.44
	29	O	O6	SAPI33	1	1
	24.11	37.17	62.17
	30	H	HO6	SAPI33	1	1
	25.06	37.39	62.3
	31	C	C11	SAPI33	1	1
	22.38	38.59	62.77
	32	H	H1	SAPI33	1	1
	21.67	37.72	62.68
	33	P	P	SAPI33	1	1
	21.66	38.94	60.23
	34	O	O13	SAPI33	1	1
	20.27	39.35	60.45
	35	O	O14	SAPI33	1	1
	21.9	37.55	59.78
	36	O	O12	SAPI33	1	1
	22.55	39.35	61.55
	37	O	O11	SAPI33	1	1
	22.32	39.95	59.17
	38	C	C1	SAPI33	1	1
	23.72	40.19	59.12
	39	H	HA	SAPI33	1	1
	24.08	40.63	60.05
	40	H	HB	SAPI33	1	1
	24.26	39.23	59.08
	41	C	C2	SAPI33	1	1
	24.2	41.14	57.95
	42	H	HS	SAPI33	1	1
	24.06	42.2	58.28
	43	O	O21	SAPI33	1	1
	23.5	40.87	56.71
	44	C	C21	SAPI33	1	1
	23.6	41.88	55.82
	45	O	O22	SAPI33	1	1
	24.09	42.97	56.09
	46	C	C22	SAPI33	1	1
	22.89	41.57	54.52
	47	H	H2R	SAPI33	1	1
	22.63	40.5	54.45
	48	H	H2S	SAPI33	1	1
	21.94	42.15	54.52
	49	C	C3	SAPI33	1	1
	25.73	40.93	57.82
	50	H	HX	SAPI33	1	1
	26.18	41.29	58.76
	51	H	HY	SAPI33	1	1
	26.19	41.52	56.99
	52	O	O31	SAPI33	1	1
	26.02	39.53	57.77
	53	C	C31	SAPI33	1	1
	26.25	38.99	56.61
	54	O	O32	SAPI33	1	1
	26.53	39.56	55.57
	55	C	C32	SAPI33	1	1
	26.12	37.49	56.81
	56	H	H2X	SAPI33	1	1
	25.2	37.24	57.38
	57	H	H2Y	SAPI33	1	1
	27.01	37.15	57.38
	58	C	C23	SAPI33	1	1
	23.77	41.98	53.31
	59	H	H3R	SAPI33	1	1
	24.69	41.35	53.32
	60	H	H3S	SAPI33	1	1
	24.09	43.05	53.4
	61	C	C24	SAPI33	1	1
	22.99	41.79	52.01
	62	H	H4R	SAPI33	1	1
	22.16	42.52	51.95
	63	H	H4S	SAPI33	1	1
	22.53	40.78	52.07
	64	C	C25	SAPI33	1	1
	23.83	41.92	50.77
	65	H	H5R	SAPI33	1	1
	24.54	42.77	50.75
	66	C	C26	SAPI33	1	1
	23.81	41.05	49.75
	67	H	H6R	SAPI33	1	1
	24.41	41.27	48.85
	68	C	C27	SAPI33	1	1
	22.96	39.81	49.63
	69	H	H7R	SAPI33	1	1
	23.13	39.13	50.51
	70	H	H7S	SAPI33	1	1
	23.36	39.24	48.77
	71	C	C28	SAPI33	1	1
	21.48	40.04	49.45
	72	H	H8R	SAPI33	1	1
	21	40.65	50.24
	73	C	C29	SAPI33	1	1
	20.74	39.57	48.42
	74	H	H9R	SAPI33	1	1
	19.66	39.78	48.4
	75	C	C210	SAPI33	1	1
	21.19	38.71	47.25
	76	H	H10R	SAPI33	1	1
	20.25	38.45	46.72
	77	H	H10S	SAPI33	1	1
	21.58	37.75	47.65
	78	C	C211	SAPI33	1	1
	22.22	39.19	46.25
	79	H	H11R	SAPI33	1	1
	23.23	39.36	46.66
	80	C	C212	SAPI33	1	1
	22.07	39.42	44.93
	81	H	H12R	SAPI33	1	1
	22.96	39.62	44.32
	82	C	C213	SAPI33	1	1
	20.82	39.27	44.1
	83	H	H13R	SAPI33	1	1
	19.9	39.38	44.71
	84	H	H13S	SAPI33	1	1
	20.86	38.21	43.78
	85	C	C214	SAPI33	1	1
	20.69	40.05	42.81
	86	H	H14R	SAPI33	1	1
	19.95	40.86	42.77
	87	C	C215	SAPI33	1	1
	21.43	39.81	41.73
	88	H	H15R	SAPI33	1	1
	21.26	40.38	40.8
	89	C	C216	SAPI33	1	1
	22.48	38.75	41.69
	90	H	H16R	SAPI33	1	1
	22.5	38.07	42.57
	91	H	H16S	SAPI33	1	1
	23.5	39.19	41.59
	92	C	C217	SAPI33	1	1
	22.4	37.73	40.62
	93	H	H17R	SAPI33	1	1
	21.53	37.03	40.57
	94	H	H17S	SAPI33	1	1
	23.44	37.39	40.57
	95	C	C218	SAPI33	1	1
	22.34	38.16	39.28
	96	H	H18R	SAPI33	1	1
	21.32	38.58	39.45
	97	H	H18S	SAPI33	1	1
	22.22	37.3	38.57
	98	C	C219	SAPI33	1	1
	23.39	39.22	38.92
	99	H	H19R	SAPI33	1	1
	23.26	40.16	39.49
	100	H	H19S	SAPI33	1	1
	23.29	39.64	37.93
	101	C	C220	SAPI33	1	1
	24.71	38.69	38.51
	102	H	H20R	SAPI33	1	1
	24.48	37.89	37.75
	103	H	H20S	SAPI33	1	1
	25.14	38.33	39.46
	104	H	H20T	SAPI33	1	1
	25.29	39.51	38.03
	105	C	C33	SAPI33	1	1
	26.19	36.86	55.44
	106	H	H3X	SAPI33	1	1
	26.53	35.81	55.63
	107	H	H3Y	SAPI33	1	1
	26.99	37.28	54.8
	108	C	C34	SAPI33	1	1
	24.89	36.91	54.62
	109	H	H4X	SAPI33	1	1
	24.07	36.42	55.14
	110	H	H4Y	SAPI33	1	1
	25.12	36.47	53.64
	111	C	C35	SAPI33	1	1
	24.15	38.16	54.24
	112	H	H5X	SAPI33	1	1
	24.79	38.58	53.43
	113	H	H5Y	SAPI33	1	1
	24.1	38.83	55.11
	114	C	C36	SAPI33	1	1
	22.71	37.91	53.73
	115	H	H6X	SAPI33	1	1
	22.6	36.96	53.15
	116	H	H6Y	SAPI33	1	1
	22.5	38.76	53.05
	117	C	C37	SAPI33	1	1
	21.63	37.92	54.83
	118	H	H7X	SAPI33	1	1
	21.95	38.58	55.67
	119	H	H7Y	SAPI33	1	1
	21.54	36.89	55.24
	120	C	C38	SAPI33	1	1
	20.23	38.39	54.37
	121	H	H8X	SAPI33	1	1
	20.2	39.48	54.17
	122	H	H8Y	SAPI33	1	1
	19.53	38.17	55.22
	123	C	C39	SAPI33	1	1
	19.71	37.74	53.08
	124	H	H9X	SAPI33	1	1
	19.84	36.65	53.29
	125	H	H9Y	SAPI33	1	1
	20.36	37.97	52.22
	126	C	C310	SAPI33	1	1
	18.24	38.17	52.74
	127	H	H10X	SAPI33	1	1
	18.03	39.15	52.34
	128	H	H10Y	SAPI33	1	1
	17.74	38.07	53.72
	129	C	C311	SAPI33	1	1
	17.52	37.38	51.65
	130	H	H11X	SAPI33	1	1
	16.53	36.86	51.64
	131	H	H11Y	SAPI33	1	1
	18.06	36.69	52.19
	132	C	C312	SAPI33	1	1
	18.02	37.49	50.26
	133	H	H12X	SAPI33	1	1
	19.14	37.41	50.17
	134	H	H12Y	SAPI33	1	1
	17.61	38.46	49.98
	135	C	C313	SAPI33	1	1
	17.35	36.53	49.33
	136	H	H13X	SAPI33	1	1
	16.47	35.91	49.53
	137	H	H13Y	SAPI33	1	1
	17.99	35.76	49.52
	138	C	C314	SAPI33	1	1
	17.71	36.94	47.99
	139	H	H14X	SAPI33	1	1
	18.84	37	47.92
	140	H	H14Y	SAPI33	1	1
	17.32	37.96	47.85
	141	C	C315	SAPI33	1	1
	17.16	36.08	46.91
	142	H	H15X	SAPI33	1	1
	16.11	36.19	46.71
	143	H	H15Y	SAPI33	1	1
	17.38	34.98	47.02
	144	C	C316	SAPI33	1	1
	17.82	36.86	45.86
	145	H	H16X	SAPI33	1	1
	18.88	36.87	46.07
	146	H	H16Y	SAPI33	1	1
	17.43	37.81	45.47
	147	C	C317	SAPI33	1	1
	17.63	36.38	44.66
	148	H	H17X	SAPI33	1	1
	16.72	35.7	44.76
	149	H	H17Y	SAPI33	1	1
	17.8	35.22	44.7
	150	C	C318	SAPI33	1	1
	18.16	37.47	43.26
	151	H	H18X	SAPI33	1	1
	19.15	37.79	43.36
	152	H	H18Y	SAPI33	1	1
	17.57	37.91	42.46
	153	H	H18Z	SAPI33	1	1
	18.46	36.99	42.2

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

_cell.entry_id	SAPI33
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

