# --------------------------------------------------------------------------
#
# 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 OSPE.gro
#
#---------------------------------------------------------------------------

data_OSPE

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

_entry.id	OSPE

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

_chemical.entry_id	OSPE
_chemical.name_common	'OSPE'

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

_chemical_formula.entry_id	OSPE
_chemical_formula.structural	'C39H75NO8P'

###############
## 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	OSPE	1	1
	20.15	18.99	60.08
	2	H	HN1	OSPE	1	1
	19.51	19.82	59.93
	3	H	HN2	OSPE	1	1
	19.87	18.56	60.98
	4	H	HN3	OSPE	1	1
	21.12	19.34	60.12
	5	C	C12	OSPE	1	1
	19.91	18.03	58.96
	6	H	H12A	OSPE	1	1
	20.5	17.11	59.14
	7	H	H12B	OSPE	1	1
	20.23	18.52	58.02
	8	C	C11	OSPE	1	1
	18.43	17.63	58.86
	9	H	H11A	OSPE	1	1
	18.06	17.16	59.8
	10	H	H11B	OSPE	1	1
	18.41	16.88	58.06
	11	P	P	OSPE	1	1
	16.07	18.45	58.18
	12	O	O13	OSPE	1	1
	15.31	19.72	58.26
	13	O	O14	OSPE	1	1
	15.62	17.29	58.99
	14	O	O11	OSPE	1	1
	16.23	17.96	56.7
	15	O	O12	OSPE	1	1
	17.62	18.74	58.53
	16	C	C1	OSPE	1	1
	16.32	18.92	55.65
	17	H	HA	OSPE	1	1
	17.07	19.71	55.87
	18	H	HB	OSPE	1	1
	15.34	19.44	55.51
	19	C	C2	OSPE	1	1
	16.72	18.16	54.35
	20	H	HS	OSPE	1	1
	16.61	18.85	53.48
	21	O	O21	OSPE	1	1
	15.89	17	54.16
	22	C	C21	OSPE	1	1
	14.58	17.2	54.08
	23	O	O22	OSPE	1	1
	14.03	18.26	53.9
	24	C	C22	OSPE	1	1
	13.88	15.83	54.1
	25	H	H2R	OSPE	1	1
	13.61	15.62	55.15
	26	H	H2S	OSPE	1	1
	14.59	15.05	53.76
	27	C	C3	OSPE	1	1
	18.22	17.71	54.42
	28	H	HX	OSPE	1	1
	18.34	17.07	55.32
	29	H	HY	OSPE	1	1
	18.86	18.6	54.58
	30	O	O31	OSPE	1	1
	18.63	16.94	53.27
	31	C	C31	OSPE	1	1
	19.03	17.66	52.23
	32	O	O32	OSPE	1	1
	19.22	18.86	52.23
	33	C	C32	OSPE	1	1
	19.18	16.78	51
	34	H	H2X	OSPE	1	1
	20.14	16.24	51.15
	35	H	H2Y	OSPE	1	1
	18.36	16.03	50.96
	36	C	C23	OSPE	1	1
	12.61	15.79	53.23
	37	H	H3R	OSPE	1	1
	11.88	16.53	53.64
	38	H	H3S	OSPE	1	1
	12.16	14.77	53.34
	39	C	C24	OSPE	1	1
	12.84	16.06	51.73
	40	H	H4R	OSPE	1	1
	13.18	17.11	51.61
	41	H	H4S	OSPE	1	1
	11.84	16.01	51.24
	42	C	C25	OSPE	1	1
	13.84	15.09	51.05
	43	H	H5R	OSPE	1	1
	13.61	14.05	51.35
	44	H	H5S	OSPE	1	1
	14.88	15.25	51.35
	45	C	C26	OSPE	1	1
	13.78	15.14	49.53
	46	H	H6R	OSPE	1	1
	12.74	15.33	49.37
	47	H	H6S	OSPE	1	1
	14.08	14.19	49.02
	48	C	C27	OSPE	1	1
	14.18	16.43	48.84
	49	H	H7R	OSPE	1	1
	13.62	17.25	49.34
	50	H	H7S	OSPE	1	1
	13.81	16.41	47.8
	51	C	C28	OSPE	1	1
	15.68	16.62	48.97
	52	H	H8R	OSPE	1	1
	15.85	16.74	50.07
	53	H	H8S	OSPE	1	1
	15.97	17.57	48.48
	54	C	C29	OSPE	1	1
	16.42	15.44	48.42
	55	H	H9R	OSPE	1	1
	16.74	14.7	49.19
	56	C	C210	OSPE	1	1
	16.72	15.21	47.13
	57	H	H10R	OSPE	1	1
	17.24	14.27	46.89
	58	C	C211	OSPE	1	1
	16.39	16.08	45.92
	59	H	H11R	OSPE	1	1
	17.16	15.84	45.16
	60	H	H11S	OSPE	1	1
	16.3	17.16	46.17
	61	C	C212	OSPE	1	1
	15.09	15.78	45.2
	62	H	H12R	OSPE	1	1
	14.32	15.98	45.98
	63	H	H12S	OSPE	1	1
	15.26	14.72	44.88
	64	C	C213	OSPE	1	1
	14.34	16.44	44.11
	65	H	H13R	OSPE	1	1
	14.18	17.49	44.39
	66	H	H13S	OSPE	1	1
	13.35	15.91	44.04
	67	C	C214	OSPE	1	1
	15.16	16.2	42.92
	68	H	H14R	OSPE	1	1
	16.18	16.56	43.15
	69	H	H14S	OSPE	1	1
	14.77	16.78	42.06
	70	C	C215	OSPE	1	1
	15.31	14.71	42.6
	71	H	H15R	OSPE	1	1
	15.92	13.98	43.15
	72	H	H15S	OSPE	1	1
	16.04	14.94	41.91
	73	C	C216	OSPE	1	1
	14.07	14.1	42.07
	74	H	H16R	OSPE	1	1
	14.01	13.22	41.4
	75	H	H16S	OSPE	1	1
	13.49	14.91	41.59
	76	H	H16T	OSPE	1	1
	13.57	13.66	42.93
	77	C	C33	OSPE	1	1
	19.14	17.59	49.67
	78	H	H3X	OSPE	1	1
	19.7	18.55	49.77
	79	H	H3Y	OSPE	1	1
	18.13	17.74	49.26
	80	C	C34	OSPE	1	1
	19.82	16.84	48.56
	81	H	H4X	OSPE	1	1
	20.67	16.71	49.18
	82	H	H4Y	OSPE	1	1
	19.58	15.78	48.4
	83	C	C35	OSPE	1	1
	20.23	17.64	47.31
	84	H	H5X	OSPE	1	1
	21.07	17.24	46.69
	85	H	H5Y	OSPE	1	1
	20.54	18.68	47.55
	86	C	C36	OSPE	1	1
	19.17	17.42	46.29
	87	H	H6X	OSPE	1	1
	19.05	16.31	46.24
	88	H	H6Y	OSPE	1	1
	18.25	17.88	46.7
	89	C	C37	OSPE	1	1
	19.6	17.9	44.92
	90	H	H7X	OSPE	1	1
	20.16	18.86	44.99
	91	H	H7Y	OSPE	1	1
	20.3	17.14	44.51
	92	C	C38	OSPE	1	1
	18.43	18.03	43.95
	93	H	H8X	OSPE	1	1
	18.93	18.13	43
	94	H	H8Y	OSPE	1	1
	17.92	17.06	43.92
	95	C	C39	OSPE	1	1
	17.43	19.14	44.19
	96	H	H9X	OSPE	1	1
	16.82	19.01	45.09
	97	C	C310	OSPE	1	1
	17.15	20.18	43.39
	98	H	H10X	OSPE	1	1
	16.41	20.92	43.7
	99	C	C311	OSPE	1	1
	17.75	20.5	42.08
	100	H	H11X	OSPE	1	1
	17.98	21.57	42.06
	101	H	H11Y	OSPE	1	1
	18.75	20.04	41.98
	102	C	C312	OSPE	1	1
	16.79	20.21	40.91
	103	H	H12X	OSPE	1	1
	15.84	20.77	40.96
	104	H	H12Y	OSPE	1	1
	16.51	19.13	40.91
	105	C	C313	OSPE	1	1
	17.49	20.52	39.6
	106	H	H13X	OSPE	1	1
	16.79	20.33	38.75
	107	H	H13Y	OSPE	1	1
	17.64	21.61	39.42
	108	C	C314	OSPE	1	1
	18.87	19.76	39.52
	109	H	H14X	OSPE	1	1
	19.66	20.37	39.87
	110	H	H14Y	OSPE	1	1
	18.92	19.86	38.43
	111	C	C315	OSPE	1	1
	19.21	18.36	40.32
	112	H	H15X	OSPE	1	1
	18.13	18.18	40.16
	113	H	H15Y	OSPE	1	1
	18.78	18.16	41.26
	114	C	C316	OSPE	1	1
	20.28	17.07	39.91
	115	H	H16X	OSPE	1	1
	21.37	17.19	39.79
	116	H	H16Y	OSPE	1	1
	20.38	17.8	39.06
	117	C	C317	OSPE	1	1
	19.87	15.29	39.56
	118	H	H17X	OSPE	1	1
	19.55	14.9	40.51
	119	H	H17Y	OSPE	1	1
	20.77	14.74	39.19
	120	C	C318	OSPE	1	1
	18.91	14.41	38.41
	121	H	H18X	OSPE	1	1
	18.58	14.61	37.37
	122	H	H18Y	OSPE	1	1
	18.27	13.55	38.62
	123	H	H18Z	OSPE	1	1
	18.01	14.89	38.26

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

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

