# --------------------------------------------------------------------------
#
# 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 SAPI35.gro
#
#---------------------------------------------------------------------------

data_SAPI35

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

_entry.id	SAPI35

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

_chemical.entry_id	SAPI35
_chemical.name_common	'SAPI35'

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

_chemical_formula.entry_id	SAPI35
_chemical_formula.structural	'C47H96O22P4'

###############
## 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	SAPI35	1	1
	11.21	12.64	63.72
	2	H	H2	SAPI35	1	1
	11.74	11.83	63.17
	3	O	O2	SAPI35	1	1
	9.84	12.34	63.61
	4	H	HO2	SAPI35	1	1
	9.72	11.51	64.14
	5	C	C13	SAPI35	1	1
	11.72	12.67	65.16
	6	H	H3	SAPI35	1	1
	12.83	12.8	65.11
	7	O	O3	SAPI35	1	1
	11.38	11.47	65.83
	8	P	P3	SAPI35	1	1
	12.45	10.24	65.93
	9	O	OP32	SAPI35	1	1
	13.82	10.9	65.87
	10	O	OP33	SAPI35	1	1
	12.29	9.51	64.6
	11	O	OP34	SAPI35	1	1
	12.33	9.54	67.28
	12	C	C14	SAPI35	1	1
	11.12	13.74	66.05
	13	H	H4	SAPI35	1	1
	10.02	13.55	66.16
	14	O	O4	SAPI35	1	1
	11.85	13.75	67.31
	15	P	P4	SAPI35	1	1
	11.2	13.53	68.82
	16	O	OP42	SAPI35	1	1
	10.66	12.15	69.1
	17	O	OP43	SAPI35	1	1
	12.31	13.77	69.87
	18	O	OP44	SAPI35	1	1
	10.06	14.53	69
	19	C	C15	SAPI35	1	1
	11.38	15.07	65.36
	20	H	H5	SAPI35	1	1
	12.49	15.21	65.34
	21	O	O5	SAPI35	1	1
	10.65	16.05	66.13
	22	P	P5	SAPI35	1	1
	11.45	17.29	66.81
	23	O	OP52	SAPI35	1	1
	12.16	16.87	68.19
	24	H	HP52	SAPI35	1	1
	11.73	16.08	68.54
	25	O	OP53	SAPI35	1	1
	10.39	18.32	67.21
	26	O	OP54	SAPI35	1	1
	12.46	17.8	65.83
	27	C	C16	SAPI35	1	1
	10.85	15.1	63.91
	28	H	H6	SAPI35	1	1
	9.74	15.02	63.94
	29	O	O6	SAPI35	1	1
	11.14	16.32	63.25
	30	H	HO6	SAPI35	1	1
	10.64	17	63.7
	31	C	C11	SAPI35	1	1
	11.49	13.99	63.07
	32	H	H1	SAPI35	1	1
	12.6	14.16	63.15
	33	P	P	SAPI35	1	1
	12.11	13.46	60.52
	34	O	O13	SAPI35	1	1
	12.56	12.09	60.85
	35	O	O14	SAPI35	1	1
	13.1	14.54	60.42
	36	O	O12	SAPI35	1	1
	11.05	13.95	61.68
	37	O	O11	SAPI35	1	1
	11.2	13.4	59.25
	38	C	C1	SAPI35	1	1
	10.4	14.47	58.83
	39	H	HA	SAPI35	1	1
	9.76	14.83	59.65
	40	H	HB	SAPI35	1	1
	11.02	15.33	58.49
	41	C	C2	SAPI35	1	1
	9.48	13.95	57.72
	42	H	HS	SAPI35	1	1
	8.68	13.32	58.13
	43	O	O21	SAPI35	1	1
	10.26	13.27	56.69
	44	C	C21	SAPI35	1	1
	10.22	11.97	56.69
	45	O	O22	SAPI35	1	1
	9.6	11.25	57.44
	46	C	C22	SAPI35	1	1
	11.04	11.49	55.48
	47	H	H2R	SAPI35	1	1
	10.41	11.69	54.59
	48	H	H2S	SAPI35	1	1
	11.98	12.07	55.42
	49	C	C3	SAPI35	1	1
	8.73	15.1	57.11
	50	H	HX	SAPI35	1	1
	8.62	15.96	57.75
	51	H	HY	SAPI35	1	1
	7.77	14.77	56.68
	52	O	O31	SAPI35	1	1
	9.51	15.55	56.19
	53	C	C31	SAPI35	1	1
	9	15.24	54.97
	54	O	O32	SAPI35	1	1
	7.88	15.37	54.54
	55	C	C32	SAPI35	1	1
	8.68	15.81	54.6
	56	H	H2X	SAPI35	1	1
	10.37	15.58	54
	57	H	H2Y	SAPI35	1	1
	10.83	15.9	54.65
	58	C	C23	SAPI35	1	1
	11.36	9.97	55.59
	59	H	H3R	SAPI35	1	1
	10.4	9.44	55.75
	60	H	H3S	SAPI35	1	1
	11.94	9.86	56.54
	61	C	C24	SAPI35	1	1
	12.13	9.32	54.42
	62	H	H4R	SAPI35	1	1
	12.61	8.4	54.83
	63	H	H4S	SAPI35	1	1
	12.96	9.94	54.03
	64	C	C25	SAPI35	1	1
	11.18	8.87	53.33
	65	H	H5R	SAPI35	1	1
	10.54	8.03	53.66
	66	C	C26	SAPI35	1	1
	11.11	9.31	52.05
	67	H	H6R	SAPI35	1	1
	10.32	8.88	51.4
	68	C	C27	SAPI35	1	1
	11.98	10.37	51.39
	69	H	H7R	SAPI35	1	1
	11.62	10.51	50.34
	70	H	H7S	SAPI35	1	1
	12.98	9.92	51.25
	71	C	C28	SAPI35	1	1
	12.13	11.71	52.1
	72	H	H8R	SAPI35	1	1
	12.92	11.74	52.86
	73	C	C29	SAPI35	1	1
	11.39	12.83	51.93
	74	H	H9R	SAPI35	1	1
	11.5	13.7	52.59
	75	C	C210	SAPI35	1	1
	10.27	12.98	51
	76	H	H10R	SAPI35	1	1
	9.87	11.92	51.13
	77	H	H10S	SAPI35	1	1
	10.52	13.07	49.93
	78	C	C211	SAPI35	1	1
	9.1	13.85	51.39
	79	H	H11R	SAPI35	1	1
	8.99	13.98	52.47
	80	C	C212	SAPI35	1	1
	8.37	14.77	50.71
	81	H	H12R	SAPI35	1	1
	7.62	15.35	51.31
	82	C	C213	SAPI35	1	1
	8.47	14.97	49.24
	83	H	H13R	SAPI35	1	1
	9.23	14.36	48.76
	84	H	H13S	SAPI35	1	1
	8.6	16.04	48.88
	85	C	C214	SAPI35	1	1
	7.23	15.12	48.57
	86	H	H14R	SAPI35	1	1
	6.57	15.73	49.21
	87	C	C215	SAPI35	1	1
	6.88	14.6	47.4
	88	H	H15R	SAPI35	1	1
	5.9	14.84	47.03
	89	C	C216	SAPI35	1	1
	7.62	13.72	46.45
	90	H	H16R	SAPI35	1	1
	7.85	12.77	46.97
	91	H	H16S	SAPI35	1	1
	8.55	14.22	46.13
	92	C	C217	SAPI35	1	1
	6.83	13.34	45.17
	93	H	H17R	SAPI35	1	1
	5.77	13.11	45.36
	94	H	H17S	SAPI35	1	1
	7.3	12.42	44.75
	95	C	C218	SAPI35	1	1
	6.89	14.46	44.14
	96	H	H18R	SAPI35	1	1
	7.94	14.73	43.91
	97	H	H18S	SAPI35	1	1
	6.36	15.35	44.55
	98	C	C219	SAPI35	1	1
	6.31	14.06	42.81
	99	H	H19R	SAPI35	1	1
	5.22	14	42.94
	100	H	H19S	SAPI35	1	1
	6.64	13.05	42.48
	101	C	C220	SAPI35	1	1
	6.63	15.03	41.71
	102	H	H20R	SAPI35	1	1
	6.55	16.08	42.08
	103	H	H20S	SAPI35	1	1
	5.9	14.85	40.89
	104	H	H20T	SAPI35	1	1
	7.59	14.85	41.22
	105	C	C33	SAPI35	1	1
	9.33	18.29	53.61
	106	H	H3X	SAPI35	1	1
	8.32	18.44	54
	107	H	H3Y	SAPI35	1	1
	8.38	18.49	52.95
	108	C	C34	SAPI35	1	1
	10.91	19.21	52.67
	109	H	H4X	SAPI35	1	1
	12.88	19.65	51.87
	110	H	H4Y	SAPI35	1	1
	11.09	20.1	52.7
	111	C	C35	SAPI35	1	1
	12.1	18.11	51.38
	112	H	H5X	SAPI35	1	1
	12.38	18.67	50.42
	113	H	H5Y	SAPI35	1	1
	11.7	17.77	50.5
	114	C	C36	SAPI35	1	1
	12.43	16.39	50.86
	115	H	H6X	SAPI35	1	1
	12.02	15.58	51.31
	116	H	H6Y	SAPI35	1	1
	13.28	16.57	51.81
	117	C	C37	SAPI35	1	1
	12.36	15.98	49.52
	118	H	H7X	SAPI35	1	1
	13.18	15.19	49.36
	119	H	H7Y	SAPI35	1	1
	12.6	16.62	49.43
	120	C	C38	SAPI35	1	1
	11.85	16.41	48.04
	121	H	H8X	SAPI35	1	1
	11.97	17.53	48.04
	122	H	H8Y	SAPI35	1	1
	10.76	16.29	48.02
	123	C	C39	SAPI35	1	1
	12.67	16.06	46.84
	124	H	H9X	SAPI35	1	1
	13.76	16.06	47.04
	125	H	H9Y	SAPI35	1	1
	12.56	16.79	46.01
	126	C	C310	SAPI35	1	1
	12.3	14.68	46.44
	127	H	H10X	SAPI35	1	1
	11.47	14.82	45.72
	128	H	H10Y	SAPI35	1	1
	11.91	14.18	47.35
	129	C	C311	SAPI35	1	1
	13.42	13.79	45.96
	130	H	H11X	SAPI35	1	1
	14.03	13.48	46.85
	131	H	H11Y	SAPI35	1	1
	14.09	14.31	45.24
	132	C	C312	SAPI35	1	1
	12.85	12.48	45.42
	133	H	H12X	SAPI35	1	1
	12.42	11.96	46.31
	134	H	H12Y	SAPI35	1	1
	13.7	11.87	45.04
	135	C	C313	SAPI35	1	1
	11.67	12.57	44.44
	136	H	H13X	SAPI35	1	1
	10.83	13.14	44.87
	137	H	H13Y	SAPI35	1	1
	11.3	11.53	44.29
	138	C	C314	SAPI35	1	1
	11.98	13.15	43.06
	139	H	H14X	SAPI35	1	1
	11.32	12.6	42.36
	140	H	H14Y	SAPI35	1	1
	13	12.84	42.8
	141	C	C315	SAPI35	1	1
	11.7	14.67	42.94
	142	H	H15X	SAPI35	1	1
	12.53	15.25	43.39
	143	H	H15Y	SAPI35	1	1
	10.78	14.9	43.51
	144	C	C316	SAPI35	1	1
	11.49	15.23	41.53
	145	H	H16X	SAPI35	1	1
	11.27	16.32	41.55
	146	H	H16Y	SAPI35	1	1
	10.56	14.78	41.09
	147	C	C317	SAPI35	1	1
	12.69	15.01	40.61
	148	H	H17X	SAPI35	1	1
	12.29	15.21	39.57
	149	H	H17Y	SAPI35	1	1
	13.16	14.01	40.76
	150	C	C318	SAPI35	1	1
	13.91	15.76	40.66
	151	H	H18X	SAPI35	1	1
	14.62	15.57	39.84
	152	H	H18Y	SAPI35	1	1
	14.36	15.63	41.67
	153	H	H18Z	SAPI35	1	1
	13.39	16.71	40.46

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

_cell.entry_id	SAPI35
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

