# --------------------------------------------------------------------------
#
# 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 SAPI34.gro
#
#---------------------------------------------------------------------------

data_SAPI34

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

_entry.id	SAPI34

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

_chemical.entry_id	SAPI34
_chemical.name_common	'SAPI34'

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

_chemical_formula.entry_id	SAPI34
_chemical_formula.structural	'C47H90O22P4'

###############
## 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	SAPI34	1	1
	45.1	53.26	63.52
	2	H	H2	SAPI34	1	1
	45.67	52.48	62.94
	3	O	O2	SAPI34	1	1
	43.72	52.98	63.47
	4	H	HO2	SAPI34	1	1
	43.34	53.85	63.55
	5	C	C13	SAPI34	1	1
	45.56	53.21	64.94
	6	H	H3	SAPI34	1	1
	46.67	53.41	64.99
	7	O	O3	SAPI34	1	1
	45.23	51.93	65.49
	8	P	P3	SAPI34	1	1
	46.43	50.82	65.69
	9	O	OP32	SAPI34	1	1
	45.87	49.44	65.79
	10	O	OP33	SAPI34	1	1
	47.23	51.1	66.98
	11	O	OP34	SAPI34	1	1
	47.35	51.01	64.5
	12	C	C14	SAPI34	1	1
	44.84	54.25	65.73
	13	H	H4	SAPI34	1	1
	43.74	54.13	65.65
	14	O	O4	SAPI34	1	1
	45.29	54.13	67.07
	15	P	P4	SAPI34	1	1
	44.31	53.56	68.23
	16	O	OP42	SAPI34	1	1
	44.19	54.63	69.36
	17	H	HP42	SAPI34	1	1
	43.63	55.38	69.17
	18	O	OP43	SAPI34	1	1
	42.87	53.44	67.76
	19	O	OP44	SAPI34	1	1
	44.99	52.44	69
	20	C	C15	SAPI34	1	1
	45.08	55.61	65.15
	21	H	H5	SAPI34	1	1
	46.13	55.73	64.76
	22	O	O5	SAPI34	1	1
	44.72	56.52	66.18
	23	P	P5	SAPI34	1	1
	45.38	57.87	66.75
	24	O	OP52	SAPI34	1	1
	44.29	58.5	67.52
	25	O	OP53	SAPI34	1	1
	46.5	57.57	67.7
	26	O	OP54	SAPI34	1	1
	45.72	58.74	65.58
	27	C	C16	SAPI34	1	1
	44.52	55.77	63.83
	28	H	H6	SAPI34	1	1
	43.46	55.6	63.72
	29	O	O6	SAPI34	1	1
	44.64	57.2	63.7
	30	H	HO6	SAPI34	1	1
	43.86	57.74	63.84
	31	C	C11	SAPI34	1	1
	45.31	54.66	62.93
	32	H	H1	SAPI34	1	1
	46.43	54.81	62.97
	33	P	P	SAPI34	1	1
	45.88	54.14	60.33
	34	O	O13	SAPI34	1	1
	46.2	52.7	60.41
	35	O	O14	SAPI34	1	1
	47	55.1	60.21
	36	O	O12	SAPI34	1	1
	44.88	54.59	61.57
	37	O	O11	SAPI34	1	1
	44.9	54.38	59.11
	38	C	C1	SAPI34	1	1
	44.11	55.57	59.03
	39	H	HA	SAPI34	1	1
	43.23	55.54	59.73
	40	H	HB	SAPI34	1	1
	44.68	56.5	59.27
	41	C	C2	SAPI34	1	1
	43.62	55.76	57.59
	42	H	HS	SAPI34	1	1
	42.85	54.99	57.32
	43	O	O21	SAPI34	1	1
	44.7	55.92	56.65
	44	C	C21	SAPI34	1	1
	44.96	54.79	56.08
	45	O	O22	SAPI34	1	1
	44.29	53.77	56.17
	46	C	C22	SAPI34	1	1
	46.22	54.94	55.26
	47	H	H2R	SAPI34	1	1
	46.15	54.19	54.44
	48	H	H2S	SAPI34	1	1
	46.3	55.93	54.78
	49	C	C3	SAPI34	1	1
	42.88	57.01	57.53
	50	H	HX	SAPI34	1	1
	43.53	57.81	57.86
	51	H	HY	SAPI34	1	1
	41.99	56.9	58.2
	52	O	O31	SAPI34	1	1
	42.7	57.41	56.2
	53	C	C31	SAPI34	1	1
	41.77	56.84	55.46
	54	O	O32	SAPI34	1	1
	40.81	56.22	55.85
	55	C	C32	SAPI34	1	1
	41.98	57.35	54.11
	56	H	H2X	SAPI34	1	1
	42.95	57.35	53.61
	57	H	H2Y	SAPI34	1	1
	42.14	58.36	54.47
	58	C	C23	SAPI34	1	1
	47.39	54.63	56.23
	59	H	H3R	SAPI34	1	1
	47.37	53.54	56.44
	60	H	H3S	SAPI34	1	1
	47.21	55.14	57.21
	61	C	C24	SAPI34	1	1
	48.78	55.01	55.71
	62	H	H4R	SAPI34	1	1
	48.91	54.63	54.67
	63	H	H4S	SAPI34	1	1
	49.57	54.55	56.35
	64	C	C25	SAPI34	1	1
	48.91	56.48	55.84
	65	H	H5R	SAPI34	1	1
	49.17	56.86	56.84
	66	C	C26	SAPI34	1	1
	49.02	57.31	54.81
	67	H	H6R	SAPI34	1	1
	48.96	58.39	54.99
	68	C	C27	SAPI34	1	1
	49.08	56.98	53.37
	69	H	H7R	SAPI34	1	1
	49.81	56.17	53.15
	70	H	H7S	SAPI34	1	1
	49.43	57.92	52.95
	71	C	C28	SAPI34	1	1
	47.86	56.96	52.57
	72	H	H8R	SAPI34	1	1
	47.09	57.63	52.97
	73	C	C29	SAPI34	1	1
	47.74	56.36	51.39
	74	H	H9R	SAPI34	1	1
	46.76	56.39	50.9
	75	C	C210	SAPI34	1	1
	48.8	55.59	50.64
	76	H	H10R	SAPI34	1	1
	49.82	55.75	51.07
	77	H	H10S	SAPI34	1	1
	48.88	55.91	49.58
	78	C	C211	SAPI34	1	1
	48.41	54.14	50.76
	79	H	H11R	SAPI34	1	1
	48.52	53.75	51.79
	80	C	C212	SAPI34	1	1
	48.2	53.26	49.76
	81	H	H12R	SAPI34	1	1
	48.06	52.2	50.02
	82	C	C213	SAPI34	1	1
	48.29	53.55	48.29
	83	H	H13R	SAPI34	1	1
	48.63	52.63	47.75
	84	H	H13S	SAPI34	1	1
	49.06	54.32	48.07
	85	C	C214	SAPI34	1	1
	46.96	54	47.75
	86	H	H14R	SAPI34	1	1
	46.14	54.1	48.49
	87	C	C215	SAPI34	1	1
	46.73	54.35	46.48
	88	H	H15R	SAPI34	1	1
	45.7	54.58	46.18
	89	C	C216	SAPI34	1	1
	47.75	54.35	45.38
	90	H	H16R	SAPI34	1	1
	48.79	54.26	45.78
	91	H	H16S	SAPI34	1	1
	47.69	55.3	44.81
	92	C	C217	SAPI34	1	1
	47.53	53.22	44.37
	93	H	H17R	SAPI34	1	1
	47.35	52.26	44.91
	94	H	H17S	SAPI34	1	1
	48.48	53.11	43.8
	95	C	C218	SAPI34	1	1
	46.37	53.5	43.4
	96	H	H18R	SAPI34	1	1
	46.62	54.35	42.73
	97	H	H18S	SAPI34	1	1
	45.49	53.8	44
	98	C	C219	SAPI34	1	1
	46	52.26	42.58
	99	H	H19R	SAPI34	1	1
	45.56	51.51	43.28
	100	H	H19S	SAPI34	1	1
	46.92	51.8	42.15
	101	C	C220	SAPI34	1	1
	44.98	52.53	41.47
	102	H	H20R	SAPI34	1	1
	44.13	53.1	41.88
	103	H	H20S	SAPI34	1	1
	44.59	51.57	41.05
	104	H	H20T	SAPI34	1	1
	45.44	53.13	40.66
	105	C	C33	SAPI34	1	1
	40.74	57.07	53.22
	106	H	H3X	SAPI34	1	1
	39.81	57.62	53.52
	107	H	H3Y	SAPI34	1	1
	40.52	56	53.36
	108	C	C34	SAPI34	1	1
	40.98	57.34	51.73
	109	H	H4X	SAPI34	1	1
	42.07	57.36	51.54
	110	H	H4Y	SAPI34	1	1
	40.56	58.32	51.44
	111	C	C35	SAPI34	1	1
	40.23	56.4	50.83
	112	H	H5X	SAPI34	1	1
	39.21	56.75	50.71
	113	H	H5Y	SAPI34	1	1
	40.32	55.36	51.14
	114	C	C36	SAPI34	1	1
	40.61	56.42	49.4
	115	H	H6X	SAPI34	1	1
	40.21	57.33	49.07
	116	H	H6Y	SAPI34	1	1
	39.89	55.83	48.8
	117	C	C37	SAPI34	1	1
	42.13	56.37	49.18
	118	H	H7X	SAPI34	1	1
	42.35	55.45	49.73
	119	H	H7Y	SAPI34	1	1
	42.61	57.29	49.6
	120	C	C38	SAPI34	1	1
	42.79	56.12	47.83
	121	H	H8X	SAPI34	1	1
	43.85	55.84	47.9
	122	H	H8Y	SAPI34	1	1
	42.95	57.12	47.37
	123	C	C39	SAPI34	1	1
	42.02	55.12	46.94
	124	H	H9X	SAPI34	1	1
	40.95	55.29	47.17
	125	H	H9Y	SAPI34	1	1
	41.95	54.06	47.08
	126	C	C310	SAPI34	1	1
	42.49	55.36	45.51
	127	H	H10X	SAPI34	1	1
	43.44	54.91	45.19
	128	H	H10Y	SAPI34	1	1
	42.65	56.46	45.48
	129	C	C311	SAPI34	1	1
	41.68	54.91	44.37
	130	H	H11X	SAPI34	1	1
	40.6	55.24	44.36
	131	H	H11Y	SAPI34	1	1
	41.5	53.86	44.14
	132	C	C312	SAPI34	1	1
	42.51	55.34	43.19
	133	H	H12X	SAPI34	1	1
	41.68	55.05	42.5
	134	H	H12Y	SAPI34	1	1
	42.62	54.33	42.67
	135	C	C313	SAPI34	1	1
	43.12	57.05	43.25
	136	H	H13X	SAPI34	1	1
	43.44	57.57	44.19
	137	H	H13Y	SAPI34	1	1
	42.46	58.01	43.1
	138	C	C314	SAPI34	1	1
	44.05	57.35	42.07
	139	H	H14X	SAPI34	1	1
	43.56	57.05	41.15
	140	H	H14Y	SAPI34	1	1
	44.89	56.75	42.06
	141	C	C315	SAPI34	1	1
	44.6	58.64	41.65
	142	H	H15X	SAPI34	1	1
	45.06	59.39	42.31
	143	H	H15Y	SAPI34	1	1
	43.76	59.2	42.23
	144	C	C316	SAPI34	1	1
	44.3	58.45	39.66
	145	H	H16X	SAPI34	1	1
	43.7	59.38	38.97
	146	H	H16Y	SAPI34	1	1
	43.28	58.36	39.15
	147	C	C317	SAPI34	1	1
	45.31	58.19	39.37
	148	H	H17X	SAPI34	1	1
	44.97	58.66	38.42
	149	H	H17Y	SAPI34	1	1
	45.06	57.09	39.28
	150	C	C318	SAPI34	1	1
	46.51	58.98	40.14
	151	H	H18X	SAPI34	1	1
	46.42	59.96	39.77
	152	H	H18Y	SAPI34	1	1
	47.19	58.9	39.32
	153	H	H18Z	SAPI34	1	1
	47.5	59.43	40.17

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

_cell.entry_id	SAPI34
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

