# --------------------------------------------------------------------------
#
# 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 SLPE.gro
#
#---------------------------------------------------------------------------

data_SLPE

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

_entry.id	SLPE

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

_chemical.entry_id	SLPE
_chemical.name_common	'SLPE'

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

_chemical_formula.entry_id	SLPE
_chemical_formula.structural	'C41H79NO8P'

###############
## 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	SLPE	1	1
	21.39	13.48	56.15
	2	H	HN1	SLPE	1	1
	20.97	13.47	55.2
	3	H	HN2	SLPE	1	1
	20.64	13.5	56.86
	4	H	HN3	SLPE	1	1
	22.01	14.31	56.24
	5	C	C12	SLPE	1	1
	22.2	12.23	56.42
	6	H	H12A	SLPE	1	1
	23.13	12.32	55.82
	7	H	H12B	SLPE	1	1
	21.6	11.36	56.09
	8	C	C11	SLPE	1	1
	22.57	12.05	57.91
	9	H	H11A	SLPE	1	1
	23.13	12.91	58.34
	10	H	H11B	SLPE	1	1
	23.29	11.19	57.91
	11	P	P	SLPE	1	1
	21.38	10.43	59.56
	12	O	O13	SLPE	1	1
	22.75	10.08	60.02
	13	O	O14	SLPE	1	1
	20.38	10.47	60.64
	14	O	O12	SLPE	1	1
	21.42	11.81	58.73
	15	O	O11	SLPE	1	1
	20.99	9.4	58.44
	16	C	C1	SLPE	1	1
	19.7	9.43	57.83
	17	H	HA	SLPE	1	1
	18.9	9.25	58.59
	18	H	HB	SLPE	1	1
	19.5	10.41	57.34
	19	C	C2	SLPE	1	1
	19.65	8.36	56.71
	20	H	HS	SLPE	1	1
	20.01	7.41	57.15
	21	O	O21	SLPE	1	1
	20.55	8.83	55.67
	22	C	C21	SLPE	1	1
	20.8	7.91	54.75
	23	O	O22	SLPE	1	1
	20.28	6.81	54.72
	24	C	C22	SLPE	1	1
	21.79	8.49	53.73
	25	H	H2R	SLPE	1	1
	21.74	9.6	53.78
	26	H	H2S	SLPE	1	1
	22.82	8.21	54
	27	C	C3	SLPE	1	1
	18.18	8.13	56.19
	28	H	HX	SLPE	1	1
	17.48	7.97	57.04
	29	H	HY	SLPE	1	1
	18.13	7.19	55.59
	30	O	O31	SLPE	1	1
	17.72	9.28	55.48
	31	C	C31	SLPE	1	1
	17.73	9.18	54.18
	32	O	O32	SLPE	1	1
	17.91	8.17	53.52
	33	C	C32	SLPE	1	1
	17.69	10.57	53.59
	34	H	H2X	SLPE	1	1
	17.55	11.34	54.37
	35	H	H2Y	SLPE	1	1
	16.86	10.65	52.89
	36	C	C23	SLPE	1	1
	21.43	8.04	52.31
	37	H	H3R	SLPE	1	1
	20.34	8.21	52.13
	38	H	H3S	SLPE	1	1
	21.62	6.95	52.2
	39	C	C24	SLPE	1	1
	22.2	8.81	51.24
	40	H	H4R	SLPE	1	1
	23.28	8.82	51.52
	41	H	H4S	SLPE	1	1
	21.86	9.86	51.21
	42	C	C25	SLPE	1	1
	22.02	8.22	49.83
	43	H	H5R	SLPE	1	1
	22.35	7.18	49.86
	44	H	H5S	SLPE	1	1
	22.69	8.77	49.13
	45	C	C26	SLPE	1	1
	20.57	8.22	49.3
	46	H	H6R	SLPE	1	1
	20.01	9.08	49.73
	47	H	H6S	SLPE	1	1
	20.09	7.27	49.64
	48	C	C27	SLPE	1	1
	20.48	8.26	47.77
	49	H	H7R	SLPE	1	1
	20.99	7.36	47.38
	50	H	H7S	SLPE	1	1
	21.04	9.15	47.41
	51	C	C28	SLPE	1	1
	19.03	8.36	47.24
	52	H	H8R	SLPE	1	1
	18.52	9.15	47.83
	53	H	H8S	SLPE	1	1
	18.49	7.42	47.49
	54	C	C29	SLPE	1	1
	18.95	8.63	45.75
	55	H	H9R	SLPE	1	1
	18.96	7.74	45.11
	56	C	C210	SLPE	1	1
	18.84	9.82	45.14
	57	H	H10R	SLPE	1	1
	18.81	9.83	44.04
	58	C	C211	SLPE	1	1
	18.75	11.19	45.78
	59	H	H11R	SLPE	1	1
	19.73	11.49	46.22
	60	H	H11S	SLPE	1	1
	18.04	11.13	46.63
	61	C	C212	SLPE	1	1
	18.27	12.24	44.8
	62	H	H12R	SLPE	1	1
	17.18	12.41	44.85
	63	C	C213	SLPE	1	1
	18.97	12.97	43.9
	64	H	H13R	SLPE	1	1
	18.4	13.66	43.25
	65	C	C214	SLPE	1	1
	20.45	12.93	43.62
	66	H	H14R	SLPE	1	1
	20.97	12.22	44.3
	67	H	H14S	SLPE	1	1
	20.89	13.93	43.81
	68	C	C215	SLPE	1	1
	20.82	12.56	42.17
	69	H	H15R	SLPE	1	1
	21.92	12.57	42.02
	70	H	H15S	SLPE	1	1
	20.4	13.32	41.47
	71	C	C216	SLPE	1	1
	20.33	11.17	41.77
	72	H	H16R	SLPE	1	1
	19.21	11.22	41.71
	73	H	H16S	SLPE	1	1
	20.64	10.36	42.44
	74	C	C217	SLPE	1	1
	20.8	10.75	40.42
	75	H	H17R	SLPE	1	1
	20.95	11.64	39.75
	76	H	H17S	SLPE	1	1
	19.97	10.04	40.16
	77	C	C218	SLPE	1	1
	21.99	9.93	40.12
	78	H	H18R	SLPE	1	1
	21.94	9.81	38.99
	79	H	H18S	SLPE	1	1
	22	8.95	40.61
	80	H	H18T	SLPE	1	1
	22.85	10.51	40.44
	81	C	C33	SLPE	1	1
	18.99	10.76	52.81
	82	H	H3X	SLPE	1	1
	19.04	10.01	51.98
	83	H	H3Y	SLPE	1	1
	19.87	10.6	53.46
	84	C	C34	SLPE	1	1
	18.99	12.14	52.18
	85	H	H4X	SLPE	1	1
	18.85	12.93	52.95
	86	H	H4Y	SLPE	1	1
	18.11	12.17	51.49
	87	C	C35	SLPE	1	1
	20.27	12.35	51.4
	88	H	H5X	SLPE	1	1
	20.54	11.37	50.95
	89	H	H5Y	SLPE	1	1
	21.08	12.63	52.11
	90	C	C36	SLPE	1	1
	20.11	13.34	50.26
	91	H	H6X	SLPE	1	1
	19.82	14.32	50.68
	92	H	H6Y	SLPE	1	1
	19.27	13.03	49.59
	93	C	C37	SLPE	1	1
	21.37	13.49	49.4
	94	H	H7X	SLPE	1	1
	22.21	13.88	50.02
	95	H	H7Y	SLPE	1	1
	21.08	14.24	48.65
	96	C	C38	SLPE	1	1
	21.79	12.2	48.65
	97	H	H8X	SLPE	1	1
	20.9	11.89	48.06
	98	H	H8Y	SLPE	1	1
	22.04	11.44	49.41
	99	C	C39	SLPE	1	1
	22.99	12.28	47.68
	100	H	H9X	SLPE	1	1
	23.89	12.69	48.2
	101	H	H9Y	SLPE	1	1
	22.71	12.9	46.8
	102	C	C310	SLPE	1	1
	23.3	11.06	46.84
	103	H	H10X	SLPE	1	1
	22.28	10.69	46.6
	104	H	H10Y	SLPE	1	1
	23.86	10.33	47.44
	105	C	C311	SLPE	1	1
	24.01	11.42	45.51
	106	H	H11X	SLPE	1	1
	25.04	11.79	45.7
	107	H	H11Y	SLPE	1	1
	23.45	12.25	45.01
	108	C	C312	SLPE	1	1
	24.03	10.25	44.52
	109	H	H12X	SLPE	1	1
	24.83	9.53	44.8
	110	H	H12Y	SLPE	1	1
	24.24	10.62	43.49
	111	C	C313	SLPE	1	1
	22.7	9.51	44.5
	112	H	H13X	SLPE	1	1
	21.84	10.16	44.24
	113	H	H13Y	SLPE	1	1
	22.52	9.03	45.49
	114	C	C314	SLPE	1	1
	22.71	8.38	43.52
	115	H	H14X	SLPE	1	1
	23.56	7.77	43.9
	116	H	H14Y	SLPE	1	1
	22.94	8.68	42.48
	117	C	C315	SLPE	1	1
	21.43	7.58	43.59
	118	H	H15X	SLPE	1	1
	20.61	7.91	42.92
	119	H	H15Y	SLPE	1	1
	21.09	7.34	44.62
	120	C	C316	SLPE	1	1
	21.89	6.25	43.23
	121	H	H16X	SLPE	1	1
	22.76	6.1	43.86
	122	H	H16Y	SLPE	1	1
	22.48	6.33	42.3
	123	C	C317	SLPE	1	1
	20.88	5.14	43.57
	124	H	H17X	SLPE	1	1
	20.54	5.05	44.6
	125	H	H17Y	SLPE	1	1
	21.1	4.05	43.37
	126	C	C318	SLPE	1	1
	19.81	5.08	42.8
	127	H	H18X	SLPE	1	1
	19.16	4.49	43.48
	128	H	H18Y	SLPE	1	1
	19.97	4.35	41.98
	129	H	H18Z	SLPE	1	1
	19.46	6.06	42.42

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

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

