# --------------------------------------------------------------------------
#
# 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 YOPE.gro
#
#---------------------------------------------------------------------------

data_YOPE

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

_entry.id	YOPE

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

_chemical.entry_id	YOPE
_chemical.name_common	'YOPE'

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

_chemical_formula.entry_id	YOPE
_chemical_formula.structural	'C39H77NO8P'

###############
## 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	N	N	YOPE	1	1
	23.86	24.32	57.14
	2	H	HN1	YOPE	1	1
	24.82	24.26	57.53
	3	H	HN2	YOPE	1	1
	23.19	23.92	57.84
	4	H	HN3	YOPE	1	1
	23.85	23.76	56.27
	5	C	C12	YOPE	1	1
	23.45	25.75	56.86
	6	H	H12A	YOPE	1	1
	22.51	25.69	56.26
	7	H	H12B	YOPE	1	1
	24.25	26.2	56.24
	8	C	C11	YOPE	1	1
	23.19	26.59	58.13
	9	H	H11A	YOPE	1	1
	22.67	27.54	57.83
	10	H	H11B	YOPE	1	1
	24.15	26.92	58.57
	11	P	P	YOPE	1	1
	20.88	25.85	59.26
	12	O	O13	YOPE	1	1
	20.49	26.73	60.38
	13	O	O14	YOPE	1	1
	20.47	24.43	59.31
	14	O	O11	YOPE	1	1
	20.42	26.52	57.89
	15	O	O12	YOPE	1	1
	22.47	25.87	59.13
	16	C	C1	YOPE	1	1
	19.11	26.21	57.4
	17	H	HA	YOPE	1	1
	18.35	26.9	57.84
	18	H	HB	YOPE	1	1
	18.79	25.16	57.63
	19	C	C2	YOPE	1	1
	19.04	26.33	55.85
	20	H	HS	YOPE	1	1
	18	26.13	55.51
	21	O	O21	YOPE	1	1
	20	25.43	55.25
	22	C	C21	YOPE	1	1
	19.55	24.21	55.03
	23	O	O22	YOPE	1	1
	18.44	23.8	55.32
	24	C	C22	YOPE	1	1
	20.64	23.37	54.34
	25	H	H2R	YOPE	1	1
	20.16	22.51	53.83
	26	H	H2S	YOPE	1	1
	21.31	22.94	55.11
	27	C	C3	YOPE	1	1
	19.38	27.76	55.39
	28	H	HX	YOPE	1	1
	20.41	27.99	55.74
	29	H	HY	YOPE	1	1
	18.66	28.48	55.84
	30	O	O31	YOPE	1	1
	19.31	27.82	53.95
	31	C	C31	YOPE	1	1
	19.76	28.97	53.48
	32	O	O32	YOPE	1	1
	20.09	29.93	54.15
	33	C	C32	YOPE	1	1
	19.73	28.95	51.96
	34	H	H2X	YOPE	1	1
	20.78	28.98	51.61
	35	H	H2Y	YOPE	1	1
	19.25	28.02	51.61
	36	C	C23	YOPE	1	1
	21.45	24.18	53.31
	37	H	H3R	YOPE	1	1
	22.37	23.59	53.09
	38	H	H3S	YOPE	1	1
	21.77	25.16	53.73
	39	C	C24	YOPE	1	1
	20.65	24.36	52
	40	H	H4R	YOPE	1	1
	19.96	25.22	52.09
	41	H	H4S	YOPE	1	1
	20.02	23.45	51.87
	42	C	C25	YOPE	1	1
	21.55	24.45	50.75
	43	H	H5R	YOPE	1	1
	22.4	23.75	50.89
	44	H	H5S	YOPE	1	1
	21.97	25.48	50.69
	45	C	C26	YOPE	1	1
	20.88	24.11	49.4
	46	H	H6R	YOPE	1	1
	20.04	24.82	49.22
	47	H	H6S	YOPE	1	1
	20.42	23.09	49.43
	48	C	C27	YOPE	1	1
	21.84	24.12	48.18
	49	H	H7R	YOPE	1	1
	21.34	24.69	47.36
	50	H	H7S	YOPE	1	1
	21.95	23.08	47.82
	51	C	C28	YOPE	1	1
	23.27	24.67	48.44
	52	H	H8R	YOPE	1	1
	23.76	24.17	49.29
	53	H	H8S	YOPE	1	1
	23.15	25.64	48.9
	54	C	C29	YOPE	1	1
	24.24	24.72	47.26
	55	H	H9R	YOPE	1	1
	24.49	23.76	46.89
	56	C	C210	YOPE	1	1
	24.45	25.51	46.22
	57	H	H10R	YOPE	1	1
	25.27	25.45	45.51
	58	C	C211	YOPE	1	1
	23.64	26.63	46
	59	H	H11R	YOPE	1	1
	24.24	27.47	46.38
	60	H	H11S	YOPE	1	1
	22.78	26.35	46.64
	61	C	C212	YOPE	1	1
	22.9	26.84	44.72
	62	H	H12R	YOPE	1	1
	21.97	27.44	44.8
	63	H	H12S	YOPE	1	1
	22.38	25.9	44.48
	64	C	C213	YOPE	1	1
	23.78	27.4	43.64
	65	H	H13R	YOPE	1	1
	24.77	26.93	43.69
	66	H	H13S	YOPE	1	1
	24.05	28.49	43.7
	67	C	C214	YOPE	1	1
	22.93	27.17	42.42
	68	H	H14R	YOPE	1	1
	22.01	27.79	42.54
	69	H	H14S	YOPE	1	1
	22.57	26.12	42.43
	70	C	C215	YOPE	1	1
	23.7	27.43	41.15
	71	H	H15R	YOPE	1	1
	24.1	28.43	41.17
	72	H	H15S	YOPE	1	1
	24.68	26.93	41.09
	73	C	C216	YOPE	1	1
	22.82	27.2	39.93
	74	H	H16R	YOPE	1	1
	22.9	26.12	39.71
	75	H	H16S	YOPE	1	1
	23.33	27.65	39.06
	76	C	C217	YOPE	1	1
	21.32	27.6	40.08
	77	H	H17R	YOPE	1	1
	21.06	28.61	40.36
	78	H	H17S	YOPE	1	1
	20.8	26.97	40.8
	79	C	C218	YOPE	1	1
	20.59	27.46	38.83
	80	H	H18R	YOPE	1	1
	20.91	28.27	38.15
	81	H	H18S	YOPE	1	1
	19.5	27.59	38.84
	82	H	H18T	YOPE	1	1
	20.87	26.43	38.52
	83	C	C33	YOPE	1	1
	19.01	30.23	51.49
	84	H	H3X	YOPE	1	1
	19.71	31.08	51.7
	85	H	H3Y	YOPE	1	1
	18.09	30.42	52.1
	86	C	C34	YOPE	1	1
	18.59	30.27	50.02
	87	H	H4X	YOPE	1	1
	17.68	29.67	49.83
	88	H	H4Y	YOPE	1	1
	18.39	31.34	49.75
	89	C	C35	YOPE	1	1
	19.67	29.84	49.06
	90	H	H5X	YOPE	1	1
	19.84	28.74	49.14
	91	H	H5Y	YOPE	1	1
	20.57	30.42	49.36
	92	C	C36	YOPE	1	1
	19.35	30.26	47.63
	93	H	H6X	YOPE	1	1
	19.29	31.36	47.57
	94	H	H6Y	YOPE	1	1
	20.16	30.06	46.91
	95	C	C37	YOPE	1	1
	18.09	29.6	47.08
	96	H	H7X	YOPE	1	1
	17.2	29.99	47.62
	97	H	H7Y	YOPE	1	1
	18.04	29.97	46.03
	98	C	C38	YOPE	1	1
	18.13	28.05	47.07
	99	H	H8X	YOPE	1	1
	19.19	27.74	47.06
	100	H	H8Y	YOPE	1	1
	17.7	27.62	48.01
	101	C	C39	YOPE	1	1
	17.39	27.5	45.88
	102	H	H9X	YOPE	1	1
	16.3	27.63	45.97
	103	C	C310	YOPE	1	1
	17.87	26.84	44.81
	104	H	H10X	YOPE	1	1
	17.18	26.57	44
	105	C	C311	YOPE	1	1
	19.31	26.48	44.53
	106	H	H11X	YOPE	1	1
	19.75	27.2	43.81
	107	H	H11Y	YOPE	1	1
	19.92	26.52	45.46
	108	C	C312	YOPE	1	1
	19.46	25.07	43.95
	109	H	H12X	YOPE	1	1
	18.78	24.34	44.43
	110	H	H12Y	YOPE	1	1
	20.51	24.72	44.13
	111	C	C313	YOPE	1	1
	19.29	25	42.44
	112	H	H13X	YOPE	1	1
	18.23	25.17	42.21
	113	H	H13Y	YOPE	1	1
	19.88	25.81	41.97
	114	C	C314	YOPE	1	1
	19.83	23.66	41.92
	115	H	H14X	YOPE	1	1
	19.7	22.87	42.68
	116	H	H14Y	YOPE	1	1
	20.9	23.77	41.63
	117	C	C315	YOPE	1	1
	19.13	23.16	40.71
	118	H	H15X	YOPE	1	1
	19.33	22.11	40.49
	119	H	H15Y	YOPE	1	1
	18.03	23.24	40.9
	120	C	C316	YOPE	1	1
	19.55	23.9	39.49
	121	H	H16X	YOPE	1	1
	20.5	23.81	38.97
	122	H	H16Y	YOPE	1	1
	18.79	23.47	38.8
	123	H	H16Z	YOPE	1	1
	19.39	24.98	39.73

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

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

