# --------------------------------------------------------------------------
#
# 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 SLPS.gro
#
#---------------------------------------------------------------------------

data_SLPS

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

_entry.id	SLPS

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

_chemical.entry_id	SLPS
_chemical.name_common	'SLPS'

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

_chemical_formula.entry_id	SLPS
_chemical_formula.structural	'C42H81NO10P'

###############
## 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	SLPS	1	1
	42.55	16.47	59.95
	2	H	HN1	SLPS	1	1
	43.36	16.65	59.33
	3	H	HN2	SLPS	1	1
	41.84	17.22	59.89
	4	H	HN3	SLPS	1	1
	42.82	16.42	60.95
	5	C	C12	SLPS	1	1
	41.84	15.18	59.61
	6	H	H12A	SLPS	1	1
	42.55	14.37	59.71
	7	C	C13	SLPS	1	1
	40.69	14.96	60.64
	8	O	O13A	SLPS	1	1
	40.62	15.81	61.58
	9	O	O13B	SLPS	1	1
	39.9	13.99	60.57
	10	C	C11	SLPS	1	1
	41.35	15.19	58.13
	11	H	H11A	SLPS	1	1
	42.19	15.46	57.46
	12	H	H11B	SLPS	1	1
	40.55	15.94	58
	13	P	P	SLPS	1	1
	40.1	13.4	56.54
	14	O	O13	SLPS	1	1
	41	13.23	55.38
	15	O	O14	SLPS	1	1
	39.15	12.32	56.87
	16	O	O12	SLPS	1	1
	40.92	13.87	57.8
	17	O	O11	SLPS	1	1
	39.27	14.67	56.26
	18	C	C1	SLPS	1	1
	38.16	15.02	57.04
	19	H	HA	SLPS	1	1
	37.61	14.15	57.49
	20	H	HB	SLPS	1	1
	38.47	15.68	57.88
	21	C	C2	SLPS	1	1
	37.23	15.78	56.1
	22	H	HS	SLPS	1	1
	36.29	15.81	56.64
	23	O	O21	SLPS	1	1
	37.04	15.19	54.83
	24	C	C21	SLPS	1	1
	36.35	14.12	54.88
	25	O	O22	SLPS	1	1
	35.64	13.75	55.81
	26	C	C22	SLPS	1	1
	36.48	13.5	53.54
	27	H	H2R	SLPS	1	1
	35.69	12.77	53.39
	28	H	H2S	SLPS	1	1
	36.36	14.29	52.77
	29	C	C3	SLPS	1	1
	37.71	17.21	55.88
	30	H	HX	SLPS	1	1
	37.65	17.47	56.91
	31	H	HY	SLPS	1	1
	37.07	17.88	55.26
	32	O	O31	SLPS	1	1
	39.09	17.34	55.66
	33	C	C31	SLPS	1	1
	39.4	17.28	54.42
	34	O	O32	SLPS	1	1
	38.64	17.28	53.47
	35	C	C32	SLPS	1	1
	40.88	17.3	54.38
	36	H	H2X	SLPS	1	1
	41.26	16.72	55.25
	37	H	H2Y	SLPS	1	1
	41.23	18.35	54.46
	38	C	C23	SLPS	1	1
	37.84	12.81	53.49
	39	H	H3R	SLPS	1	1
	37.93	12.1	54.35
	40	H	H3S	SLPS	1	1
	38.66	13.56	53.6
	41	C	C24	SLPS	1	1
	37.98	12	52.21
	42	H	H4R	SLPS	1	1
	37.06	11.38	52.07
	43	H	H4S	SLPS	1	1
	38.85	11.32	52.32
	44	C	C25	SLPS	1	1
	38.18	12.85	50.95
	45	H	H5R	SLPS	1	1
	37.4	13.64	50.92
	46	H	H5S	SLPS	1	1
	38.02	12.19	50.07
	47	C	C26	SLPS	1	1
	39.57	13.47	50.86
	48	H	H6R	SLPS	1	1
	40.33	12.69	51.06
	49	H	H6S	SLPS	1	1
	39.67	14.24	51.66
	50	C	C27	SLPS	1	1
	39.85	14.06	49.47
	51	H	H7R	SLPS	1	1
	39.8	13.23	48.73
	52	H	H7S	SLPS	1	1
	40.89	14.47	49.45
	53	C	C28	SLPS	1	1
	38.86	15.16	49.05
	54	H	H8R	SLPS	1	1
	37.83	14.81	49.13
	55	H	H8S	SLPS	1	1
	39.02	15.41	47.98
	56	C	C29	SLPS	1	1
	39.14	16.31	49.99
	57	H	H9R	SLPS	1	1
	38.91	16.13	51.05
	58	C	C210	SLPS	1	1
	39.64	17.49	49.62
	59	H	H10R	SLPS	1	1
	39.79	18.27	50.41
	60	C	C211	SLPS	1	1
	40.02	17.82	48.25
	61	H	H11R	SLPS	1	1
	40.24	16.98	47.55
	62	H	H11S	SLPS	1	1
	40.88	18.56	48.22
	63	C	C212	SLPS	1	1
	38.99	18.68	47.63
	64	H	H12R	SLPS	1	1
	38.22	19.06	48.42
	65	C	C213	SLPS	1	1
	38.63	18.54	46.44
	66	H	H13R	SLPS	1	1
	37.98	19.49	46.26
	67	C	C214	SLPS	1	1
	39.17	17.91	45.1
	68	H	H14R	SLPS	1	1
	39.62	16.9	45.42
	69	H	H14S	SLPS	1	1
	39.87	18.53	44.61
	70	C	C215	SLPS	1	1
	38.22	17.38	43.89
	71	H	H15R	SLPS	1	1
	37.58	18.19	43.48
	72	H	H15S	SLPS	1	1
	37.47	16.63	44.23
	73	C	C216	SLPS	1	1
	38.65	17.2	42.45
	74	H	H16R	SLPS	1	1
	39.29	16.31	42.47
	75	H	H16S	SLPS	1	1
	39.16	18.13	42.1
	76	C	C217	SLPS	1	1
	37.45	17.01	41.48
	77	H	H17R	SLPS	1	1
	37.89	16.64	40.55
	78	H	H17S	SLPS	1	1
	36.91	17.96	41.23
	79	C	C218	SLPS	1	1
	36.4	16.08	42
	80	H	H18R	SLPS	1	1
	35.7	15.71	41.22
	81	H	H18S	SLPS	1	1
	35.84	16.72	42.71
	82	H	H18T	SLPS	1	1
	36.79	15.22	42.59
	83	C	C33	SLPS	1	1
	41.27	16.62	53.1
	84	H	H3X	SLPS	1	1
	41.05	17.24	52.2
	85	H	H3Y	SLPS	1	1
	40.7	15.66	53
	86	C	C34	SLPS	1	1
	42.71	16.24	53.15
	87	H	H4X	SLPS	1	1
	42.86	15.52	53.99
	88	H	H4Y	SLPS	1	1
	43.39	17.11	53.32
	89	C	C35	SLPS	1	1
	42.92	15.59	51.82
	90	H	H5X	SLPS	1	1
	43.09	16.34	51.02
	91	H	H5Y	SLPS	1	1
	42.07	14.93	51.54
	92	C	C36	SLPS	1	1
	44.06	14.68	51.92
	93	H	H6X	SLPS	1	1
	44.09	14.11	52.88
	94	H	H6Y	SLPS	1	1
	44.86	15.4	52.12
	95	C	C37	SLPS	1	1
	44.06	13.7	50.73
	96	H	H7X	SLPS	1	1
	43.15	13.1	50.86
	97	H	H7Y	SLPS	1	1
	44.98	13.07	50.83
	98	C	C38	SLPS	1	1
	44.06	14.14	49.24
	99	H	H8X	SLPS	1	1
	45.11	13.94	48.91
	100	H	H8Y	SLPS	1	1
	43.69	15.18	49.22
	101	C	C39	SLPS	1	1
	43.41	13.47	48.04
	102	H	H9X	SLPS	1	1
	42.32	13.58	48.14
	103	H	H9Y	SLPS	1	1
	43.74	12.43	47.98
	104	C	C310	SLPS	1	1
	43.91	14.07	46.72
	105	H	H10X	SLPS	1	1
	44.91	13.65	46.46
	106	H	H10Y	SLPS	1	1
	43.94	15.17	46.85
	107	C	C311	SLPS	1	1
	43.28	13.65	45.43
	108	H	H11X	SLPS	1	1
	43.79	14.07	44.53
	109	H	H11Y	SLPS	1	1
	42.24	14.01	45.42
	110	C	C312	SLPS	1	1
	43.61	12.2	45.23
	111	H	H12X	SLPS	1	1
	43.29	11.6	46.1
	112	H	H12Y	SLPS	1	1
	44.7	12.15	45.04
	113	C	C313	SLPS	1	1
	43.03	11.76	43.95
	114	H	H13X	SLPS	1	1
	43.38	10.75	43.67
	115	H	H13Y	SLPS	1	1
	43.28	12.47	43.12
	116	C	C314	SLPS	1	1
	41.57	11.78	44.19
	117	H	H14X	SLPS	1	1
	41.16	12.81	44.37
	118	H	H14Y	SLPS	1	1
	41.29	11.17	45.08
	119	C	C315	SLPS	1	1
	40.99	11.26	42.95
	120	H	H15X	SLPS	1	1
	41.07	10.15	42.9
	121	H	H15Y	SLPS	1	1
	41.36	11.73	42.01
	122	C	C316	SLPS	1	1
	39.61	11.62	43.11
	123	H	H16X	SLPS	1	1
	39.36	12.71	43.09
	124	H	H16Y	SLPS	1	1
	39.31	11.25	44.14
	125	C	C317	SLPS	1	1
	38.93	10.89	42.05
	126	H	H17X	SLPS	1	1
	39.13	9.82	41.86
	127	H	H17Y	SLPS	1	1
	38.9	11.44	41.06
	128	C	C318	SLPS	1	1
	37.71	10.99	42.83
	129	H	H18X	SLPS	1	1
	37.54	10.72	43.87
	130	H	H18Y	SLPS	1	1
	37.08	10.21	42.46
	131	H	H18Z	SLPS	1	1
	37.44	12.06	42.66

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

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

