# --------------------------------------------------------------------------
#
# 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 SAPI2C.gro
#
#---------------------------------------------------------------------------

data_SAPI2C

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

_entry.id	SAPI2C

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

_chemical.entry_id	SAPI2C
_chemical.name_common	'SAPI2C'

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

_chemical_formula.entry_id	SAPI2C
_chemical_formula.structural	'C47H89O19P3'

###############
## 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	SAPI2C	1	1
	27.39	8.61	63.16
	2	H	H2	SAPI2C	1	1
	27.93	8.97	62.25
	3	O	O2	SAPI2C	1	1
	27.85	7.28	63.4
	4	H	HO2	SAPI2C	1	1
	27.22	6.85	63.96
	5	C	C13	SAPI2C	1	1
	27.58	9.48	64.38
	6	H	H3	SAPI2C	1	1
	28.4	9.98	63.73
	7	O	O3	SAPI2C	1	1
	28.35	10.39	65.09
	8	P	P3	SAPI2C	1	1
	27.22	11.7	65.1
	9	O	OP32	SAPI2C	1	1
	28.1	12.04	66.27
	10	H	HP32	SAPI2C	1	1
	27.5	11.59	66.94
	11	O	OP33	SAPI2C	1	1
	25.89	11.74	65.81
	12	O	OP34	SAPI2C	1	1
	27.47	12.55	63.86
	13	C	C14	SAPI2C	1	1
	26.79	8.87	65.68
	14	H	H4	SAPI2C	1	1
	27.25	7.87	65.74
	15	O	O4	SAPI2C	1	1
	26.88	9.28	67.08
	16	P	P4	SAPI2C	1	1
	25.7	9.37	68.3
	17	O	OP42	SAPI2C	1	1
	26.22	10.43	69.2
	18	O	OP43	SAPI2C	1	1
	24.31	9.81	67.84
	19	O	OP44	SAPI2C	1	1
	25.5	7.94	68.88
	20	C	C15	SAPI2C	1	1
	25.27	8.97	65.22
	21	H	H5	SAPI2C	1	1
	24.89	9.99	65.2
	22	O	O5	SAPI2C	1	1
	24.23	8.37	65.97
	23	H	HO5	SAPI2C	1	1
	24.19	9.18	66.57
	24	C	C16	SAPI2C	1	1
	25.03	8.27	63.97
	25	H	H6	SAPI2C	1	1
	25.26	7.2	64.25
	26	O	O6	SAPI2C	1	1
	23.67	8.53	63.5
	27	H	HO6	SAPI2C	1	1
	23.29	7.69	63.28
	28	C	C11	SAPI2C	1	1
	25.91	8.75	62.92
	29	H	H1	SAPI2C	1	1
	25.72	9.87	62.85
	30	P	P	SAPI2C	1	1
	25.39	8.93	60.4
	31	O	O13	SAPI2C	1	1
	26.57	9.79	60.17
	32	O	O14	SAPI2C	1	1
	24.01	9.49	60.49
	33	O	O12	SAPI2C	1	1
	25.66	8.01	61.73
	34	O	O11	SAPI2C	1	1
	25.37	7.78	59.34
	35	C	C1	SAPI2C	1	1
	24.19	7.12	58.95
	36	H	HA	SAPI2C	1	1
	23.79	6.54	59.8
	37	H	HB	SAPI2C	1	1
	23.43	7.88	58.67
	38	C	C2	SAPI2C	1	1
	24.45	6.21	57.7
	39	H	HS	SAPI2C	1	1
	24.87	5.27	58.1
	40	O	O21	SAPI2C	1	1
	25.42	6.79	56.8
	41	C	C21	SAPI2C	1	1
	26.04	5.96	55.94
	42	O	O22	SAPI2C	1	1
	25.97	4.75	55.93
	43	C	C22	SAPI2C	1	1
	26.75	6.81	54.88
	44	H	H2R	SAPI2C	1	1
	26.71	7.88	55.18
	45	H	H2S	SAPI2C	1	1
	27.81	6.5	54.88
	46	C	C3	SAPI2C	1	1
	23.11	5.95	56.94
	47	H	HX	SAPI2C	1	1
	22.39	5.5	57.65
	48	H	HY	SAPI2C	1	1
	23.3	5.21	56.12
	49	O	O31	SAPI2C	1	1
	22.55	7.18	56.43
	50	C	C31	SAPI2C	1	1
	21.37	7.02	55.82
	51	O	O32	SAPI2C	1	1
	20.73	5.98	55.81
	52	C	C32	SAPI2C	1	1
	20.92	8.32	55.13
	53	H	H2X	SAPI2C	1	1
	21.74	9.07	55.09
	54	H	H2Y	SAPI2C	1	1
	20.14	8.78	55.78
	55	C	C23	SAPI2C	1	1
	26.17	6.65	53.45
	56	H	H3R	SAPI2C	1	1
	26.25	5.6	53.08
	57	H	H3S	SAPI2C	1	1
	26.78	7.26	52.76
	58	C	C24	SAPI2C	1	1
	24.71	7.11	53.35
	59	H	H4R	SAPI2C	1	1
	24.07	6.43	53.95
	60	H	H4S	SAPI2C	1	1
	24.39	6.99	52.28
	61	C	C25	SAPI2C	1	1
	24.53	8.51	53.87
	62	H	H5R	SAPI2C	1	1
	24.48	8.6	54.96
	63	C	C26	SAPI2C	1	1
	24.35	9.61	53.15
	64	H	H6R	SAPI2C	1	1
	24.23	10.57	53.66
	65	C	C27	SAPI2C	1	1
	24.27	9.62	51.65
	66	H	H7R	SAPI2C	1	1
	23.29	9.92	51.33
	67	H	H7S	SAPI2C	1	1
	24.6	8.69	51.22
	68	C	C28	SAPI2C	1	1
	24.65	10.71	50.85
	69	H	H8R	SAPI2C	1	1
	24.63	11.5	51.47
	70	C	C29	SAPI2C	1	1
	25.27	10.71	49.74
	71	H	H9R	SAPI2C	1	1
	26.09	11.35	49.59
	72	C	C210	SAPI2C	1	1
	25.65	9.44	49.27
	73	H	H10R	SAPI2C	1	1
	26.11	10.19	48.44
	74	H	H10S	SAPI2C	1	1
	25.3	9.24	48.3
	75	C	C211	SAPI2C	1	1
	26.5	8.23	50.11
	76	H	H11R	SAPI2C	1	1
	27.12	8.22	51.03
	77	C	C212	SAPI2C	1	1
	26.74	6.97	49.97
	78	H	H12R	SAPI2C	1	1
	27.74	6.5	50.27
	79	C	C213	SAPI2C	1	1
	26.04	6.6	48.82
	80	H	H13R	SAPI2C	1	1
	25.93	7.35	47.99
	81	H	H13S	SAPI2C	1	1
	25.11	6.54	49.43
	82	C	C214	SAPI2C	1	1
	26.55	5.29	48.46
	83	H	H14R	SAPI2C	1	1
	27.53	4.96	48.85
	84	C	C215	SAPI2C	1	1
	25.83	4.56	47.65
	85	H	H15R	SAPI2C	1	1
	26.22	3.58	47.41
	86	C	C216	SAPI2C	1	1
	24.51	4.96	47.05
	87	H	H16R	SAPI2C	1	1
	23.93	5.73	47.61
	88	H	H16S	SAPI2C	1	1
	23.86	4.06	46.98
	89	C	C217	SAPI2C	1	1
	24.7	5.46	45.61
	90	H	H17R	SAPI2C	1	1
	24.92	4.58	44.97
	91	H	H17S	SAPI2C	1	1
	25.56	6.17	45.53
	92	C	C218	SAPI2C	1	1
	23.46	6.2	45.13
	93	H	H18R	SAPI2C	1	1
	23.31	7	45.89
	94	H	H18S	SAPI2C	1	1
	22.55	5.56	45.11
	95	C	C219	SAPI2C	1	1
	23.66	6.88	43.79
	96	H	H19R	SAPI2C	1	1
	24.44	7.66	43.93
	97	H	H19S	SAPI2C	1	1
	22.7	7.37	43.48
	98	C	C220	SAPI2C	1	1
	24.11	5.95	42.67
	99	H	H20R	SAPI2C	1	1
	24.18	6.53	41.73
	100	H	H20S	SAPI2C	1	1
	23.4	5.11	42.53
	101	H	H20T	SAPI2C	1	1
	25.1	5.53	42.96
	102	C	C33	SAPI2C	1	1
	20.24	8	53.77
	103	H	H3X	SAPI2C	1	1
	19.71	8.91	53.4
	104	H	H3Y	SAPI2C	1	1
	19.45	7.24	53.96
	105	C	C34	SAPI2C	1	1
	21.18	7.54	52.63
	106	H	H4X	SAPI2C	1	1
	22.07	7.02	53.03
	107	H	H4Y	SAPI2C	1	1
	21.54	8.46	52.13
	108	C	C35	SAPI2C	1	1
	20.54	6.65	51.54
	109	H	H5X	SAPI2C	1	1
	19.67	7.19	51.11
	110	H	H5Y	SAPI2C	1	1
	20.16	5.71	52
	111	C	C36	SAPI2C	1	1
	21.56	6.26	50.44
	112	H	H6X	SAPI2C	1	1
	21.18	5.46	49.76
	113	H	H6Y	SAPI2C	1	1
	22.48	5.85	50.91
	114	C	C37	SAPI2C	1	1
	22.03	7.42	49.56
	115	H	H7X	SAPI2C	1	1
	22.75	6.98	48.83
	116	H	H7Y	SAPI2C	1	1
	22.58	8.19	50.14
	117	C	C38	SAPI2C	1	1
	20.93	8.11	48.75
	118	H	H8X	SAPI2C	1	1
	20.46	8.9	49.38
	119	H	H8Y	SAPI2C	1	1
	20.16	7.35	48.5
	120	C	C39	SAPI2C	1	1
	21.46	8.61	47.41
	121	H	H9X	SAPI2C	1	1
	20.65	9.04	46.79
	122	H	H9Y	SAPI2C	1	1
	21.82	7.74	46.84
	123	C	C310	SAPI2C	1	1
	22.58	9.63	47.54
	124	H	H10X	SAPI2C	1	1
	23.44	9.19	48.07
	125	H	H10Y	SAPI2C	1	1
	22.21	10.5	48.12
	126	C	C311	SAPI2C	1	1
	23.01	10.12	46.18
	127	H	H11X	SAPI2C	1	1
	22.12	10.27	45.52
	128	H	H11Y	SAPI2C	1	1
	23.68	9.38	45.68
	129	C	C312	SAPI2C	1	1
	23.66	11.47	46.35
	130	H	H12X	SAPI2C	1	1
	24.51	11.34	47.08
	131	H	H12Y	SAPI2C	1	1
	23.05	12.29	46.72
	132	C	C313	SAPI2C	1	1
	24.16	11.98	45.05
	133	H	H13X	SAPI2C	1	1
	24.54	10.96	44.78
	134	H	H13Y	SAPI2C	1	1
	24.89	12.76	45.34
	135	C	C314	SAPI2C	1	1
	23.45	12.41	43.74
	136	H	H14X	SAPI2C	1	1
	23.06	13.39	43.99
	137	H	H14Y	SAPI2C	1	1
	22.74	11.58	43.55
	138	C	C315	SAPI2C	1	1
	24.16	12.85	42.4
	139	H	H15X	SAPI2C	1	1
	25.02	12.5	41.89
	140	H	H15Y	SAPI2C	1	1
	24.73	13.77	42.51
	141	C	C316	SAPI2C	1	1
	23.53	12.52	41.09
	142	H	H16X	SAPI2C	1	1
	24.17	12.8	40.21
	143	H	H16Y	SAPI2C	1	1
	23	13.37	41.44
	144	C	C317	SAPI2C	1	1
	22.62	11.29	40.82
	145	H	H17X	SAPI2C	1	1
	22.38	11.51	39.77
	146	H	H17Y	SAPI2C	1	1
	21.8	11.42	41.53
	147	C	C318	SAPI2C	1	1
	22.9	9.78	40.81
	148	H	H18X	SAPI2C	1	1
	23.58	9.51	39.96
	149	H	H18Y	SAPI2C	1	1
	22.11	9.1	40.56
	150	H	H18Z	SAPI2C	1	1
	23.33	9.44	41.79

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

_cell.entry_id	SAPI2C
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

