# --------------------------------------------------------------------------
#
# 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 SAPI24.gro
#
#---------------------------------------------------------------------------

data_SAPI24

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

_entry.id	SAPI24

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

_chemical.entry_id	SAPI24
_chemical.name_common	'SAPI24'

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

_chemical_formula.entry_id	SAPI24
_chemical_formula.structural	'C47H85O19P3'

###############
## 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	SAPI24	1	1
	5.75	50.35	62.81
	2	H	H2	SAPI24	1	1
	5.78	50.89	61.86
	3	O	O2	SAPI24	1	1
	7.11	50.01	63.07
	4	H	HO2	SAPI24	1	1
	7.69	50.65	62.65
	5	C	C13	SAPI24	1	1
	5.17	51.25	63.9
	6	H	H3	SAPI24	1	1
	4.15	51.59	63.61
	7	O	O3	SAPI24	1	1
	5.98	52.43	64.06
	8	H	HO3	SAPI24	1	1
	5.63	52.88	64.84
	9	C	C14	SAPI24	1	1
	5.01	50.48	65.2
	10	H	H4	SAPI24	1	1
	6.04	50.12	65.48
	11	O	O4	SAPI24	1	1
	4.44	51.41	66.13
	12	P	P4	SAPI24	1	1
	5.21	51.66	67.56
	13	O	OP42	SAPI24	1	1
	5.7	50.29	68.2
	14	H	HP42	SAPI24	1	1
	5	49.62	68.14
	15	O	OP43	SAPI24	1	1
	6.53	52.4	67.33
	16	O	OP44	SAPI24	1	1
	4.34	52.42	68.54
	17	C	C15	SAPI24	1	1
	4.1	49.24	65
	18	H	H5	SAPI24	1	1
	3.09	49.58	64.68
	19	O	O5	SAPI24	1	1
	4.02	48.48	66.23
	20	P	P5	SAPI24	1	1
	2.63	48.21	67.09
	21	O	OP52	SAPI24	1	1
	3.06	47.43	68.34
	22	O	OP53	SAPI24	1	1
	1.77	47.33	66.23
	23	O	OP54	SAPI24	1	1
	1.97	49.53	67.4
	24	C	C16	SAPI24	1	1
	4.7	48.35	63.89
	25	H	H6	SAPI24	1	1
	5.69	47.98	64.25
	26	O	O6	SAPI24	1	1
	3.89	47.23	63.57
	27	H	HO6	SAPI24	1	1
	4.26	46.5	64.06
	28	C	C11	SAPI24	1	1
	4.87	49.12	62.59
	29	H	H1	SAPI24	1	1
	3.85	49.5	62.3
	30	P	P	SAPI24	1	1
	4.82	48.04	60.06
	31	O	O13	SAPI24	1	1
	4.87	49.34	59.35
	32	O	O14	SAPI24	1	1
	3.47	47.43	60.17
	33	O	O12	SAPI24	1	1
	5.43	48.3	61.56
	34	O	O11	SAPI24	1	1
	5.85	47.03	59.46
	35	C	C1	SAPI24	1	1
	7.26	47.26	59.36
	36	H	HA	SAPI24	1	1
	7.73	47.62	60.31
	37	H	HB	SAPI24	1	1
	7.77	46.31	59.06
	38	C	C2	SAPI24	1	1
	7.63	48.28	58.29
	39	H	HS	SAPI24	1	1
	7.54	49.31	58.72
	40	O	O21	SAPI24	1	1
	6.83	48.08	57.11
	41	C	C21	SAPI24	1	1
	6.7	49.07	56.26
	42	O	O22	SAPI24	1	1
	7.04	50.23	56.42
	43	C	C22	SAPI24	1	1
	5.98	48.56	55.01
	44	H	H2R	SAPI24	1	1
	6.4	47.59	54.65
	45	H	H2S	SAPI24	1	1
	4.95	48.37	55.35
	46	C	C3	SAPI24	1	1
	9.08	48.11	57.93
	47	H	HX	SAPI24	1	1
	9.8	48.19	58.76
	48	H	HY	SAPI24	1	1
	9.12	48.95	57.24
	49	O	O31	SAPI24	1	1
	9.37	46.88	57.34
	50	C	C31	SAPI24	1	1
	9.59	46.85	56.1
	51	O	O32	SAPI24	1	1
	10.09	47.67	55.35
	52	C	C32	SAPI24	1	1
	9.16	45.48	55.74
	53	H	H2X	SAPI24	1	1
	8.17	45.16	56.04
	54	H	H2Y	SAPI24	1	1
	9.86	44.82	56.34
	55	C	C23	SAPI24	1	1
	5.99	49.62	53.89
	56	H	H3R	SAPI24	1	1
	7.03	49.76	53.5
	57	H	H3S	SAPI24	1	1
	5.67	50.61	54.29
	58	C	C24	SAPI24	1	1
	5.08	49.24	52.72
	59	H	H4R	SAPI24	1	1
	5.46	48.27	52.32
	60	H	H4S	SAPI24	1	1
	5.22	50.01	51.93
	61	C	C25	SAPI24	1	1
	3.63	49.19	53.13
	62	H	H5R	SAPI24	1	1
	3.3	50.04	53.74
	63	C	C26	SAPI24	1	1
	2.71	48.28	52.77
	64	H	H6R	SAPI24	1	1
	1.7	48.34	53.21
	65	C	C27	SAPI24	1	1
	2.92	47.09	51.86
	66	H	H7R	SAPI24	1	1
	2.73	46.17	52.46
	67	H	H7S	SAPI24	1	1
	3.95	47	51.47
	68	C	C28	SAPI24	1	1
	1.91	47.09	50.76
	69	H	H8R	SAPI24	1	1
	0.95	47.57	50.99
	70	C	C29	SAPI24	1	1
	2.03	46.56	49.54
	71	H	H9R	SAPI24	1	1
	1.1	46.62	49
	72	C	C210	SAPI24	1	1
	3.16	45.8	48.89
	73	H	H10R	SAPI24	1	1
	2.77	45.12	48.14
	74	H	H10S	SAPI24	1	1
	3.65	45.14	49.65
	75	C	C211	SAPI24	1	1
	4.17	46.61	48.13
	76	H	H11R	SAPI24	1	1
	4.36	47.59	48.57
	77	C	C212	SAPI24	1	1
	4.71	46.3	46.93
	78	H	H12R	SAPI24	1	1
	5.47	46.97	46.51
	79	C	C213	SAPI24	1	1
	4.41	45.06	46.11
	80	H	H13R	SAPI24	1	1
	3.31	44.92	46.07
	81	H	H13S	SAPI24	1	1
	4.8	44.15	46.63
	82	C	C214	SAPI24	1	1
	4.86	45.11	44.68
	83	H	H14R	SAPI24	1	1
	5.64	44.41	44.41
	84	C	C215	SAPI24	1	1
	4.39	45.82	43.65
	85	H	H15R	SAPI24	1	1
	4.88	45.69	42.67
	86	C	C216	SAPI24	1	1
	3.27	46.79	43.67
	87	H	H16R	SAPI24	1	1
	2.97	47.03	44.72
	88	H	H16S	SAPI24	1	1
	2.41	46.3	43.17
	89	C	C217	SAPI24	1	1
	3.62	48.09	42.93
	90	H	H17R	SAPI24	1	1
	4.47	48.57	43.46
	91	H	H17S	SAPI24	1	1
	2.75	48.78	43.01
	92	C	C218	SAPI24	1	1
	3.95	47.85	41.44
	93	H	H18R	SAPI24	1	1
	3.15	47.19	41.02
	94	H	H18S	SAPI24	1	1
	4.91	47.3	41.36
	95	C	C219	SAPI24	1	1
	4.1	49.1	40.58
	96	H	H19R	SAPI24	1	1
	4.87	48.98	39.79
	97	H	H19S	SAPI24	1	1
	4.42	49.95	41.23
	98	C	C220	SAPI24	1	1
	2.79	49.44	39.91
	99	H	H20R	SAPI24	1	1
	2.33	48.66	39.3
	100	H	H20S	SAPI24	1	1
	2.82	50.4	39.35
	101	H	H20T	SAPI24	1	1
	2.12	49.44	40.78
	102	C	C33	SAPI24	1	1
	9.29	45.31	54.25
	103	H	H3X	SAPI24	1	1
	9.27	44.2	54.11
	104	H	H3Y	SAPI24	1	1
	10.27	45.83	54.22
	105	C	C34	SAPI24	1	1
	8.66	45.93	53.01
	106	H	H4X	SAPI24	1	1
	8.61	46.98	53.37
	107	H	H4Y	SAPI24	1	1
	7.78	45.26	53.01
	108	C	C35	SAPI24	1	1
	9.35	45.85	51.58
	109	H	H5X	SAPI24	1	1
	9.38	44.8	51.19
	110	H	H5Y	SAPI24	1	1
	10.37	46.27	51.48
	111	C	C36	SAPI24	1	1
	8.72	46.62	50.5
	112	H	H6X	SAPI24	1	1
	7.65	46.37	50.58
	113	H	H6Y	SAPI24	1	1
	9.14	46.22	49.54
	114	C	C37	SAPI24	1	1
	9.14	48.08	50.66
	115	H	H7X	SAPI24	1	1
	10.24	48.21	50.81
	116	H	H7Y	SAPI24	1	1
	8.65	48.49	51.58
	117	C	C38	SAPI24	1	1
	8.76	48.82	49.4
	118	H	H8X	SAPI24	1	1
	9.04	48.15	48.55
	119	H	H8Y	SAPI24	1	1
	9.36	49.75	49.32
	120	C	C39	SAPI24	1	1
	7.26	49.1	49.4
	121	H	H9X	SAPI24	1	1
	6.98	49.59	50.36
	122	H	H9Y	SAPI24	1	1
	6.73	48.12	49.36
	123	C	C310	SAPI24	1	1
	6.79	49.99	48.24
	124	H	H10X	SAPI24	1	1
	7.19	51.02	48.35
	125	H	H10Y	SAPI24	1	1
	5.68	50.07	48.31
	126	C	C311	SAPI24	1	1
	7.25	49.47	46.86
	127	H	H11X	SAPI24	1	1
	7.08	48.38	46.79
	128	H	H11Y	SAPI24	1	1
	8.35	49.62	46.8
	129	C	C312	SAPI24	1	1
	6.63	50.24	45.68
	130	H	H12X	SAPI24	1	1
	7	51.29	45.71
	131	H	H12Y	SAPI24	1	1
	5.52	50.28	45.82
	132	C	C313	SAPI24	1	1
	6.94	49.64	44.3
	133	H	H13X	SAPI24	1	1
	6.41	50.25	43.53
	134	H	H13Y	SAPI24	1	1
	6.52	48.61	44.24
	135	C	C314	SAPI24	1	1
	8.43	49.59	43.96
	136	H	H14X	SAPI24	1	1
	8.96	48.94	44.7
	137	H	H14Y	SAPI24	1	1
	8.88	50.61	44.05
	138	C	C315	SAPI24	1	1
	8.75	49.07	42.54
	139	H	H15X	SAPI24	1	1
	8.24	48.09	42.4
	140	H	H15Y	SAPI24	1	1
	9.84	48.9	42.5
	141	C	C316	SAPI24	1	1
	8.31	50.01	41.4
	142	H	H16X	SAPI24	1	1
	8.72	51.03	41.58
	143	H	H16Y	SAPI24	1	1
	7.21	50.11	41.43
	144	C	C317	SAPI24	1	1
	8.69	49.54	39.99
	145	H	H17X	SAPI24	1	1
	9.8	49.47	39.9
	146	H	H17Y	SAPI24	1	1
	8.35	50.33	39.28
	147	C	C318	SAPI24	1	1
	8.13	48.18	39.55
	148	H	H18X	SAPI24	1	1
	8.57	47.94	38.56
	149	H	H18Y	SAPI24	1	1
	7.02	48.16	39.41
	150	H	H18Z	SAPI24	1	1
	8.42	47.36	40.24

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

_cell.entry_id	SAPI24
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

