# --------------------------------------------------------------------------
#
# 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 SDPS.gro
#
#---------------------------------------------------------------------------

data_SDPS

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

_entry.id	SDPS

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

_chemical.entry_id	SDPS
_chemical.name_common	'SDPS'

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

_chemical_formula.entry_id	SDPS
_chemical_formula.structural	'C46H91NO10P'

###############
## 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	SDPS	1	1
	56.66	74.16	61.92
	2	H	HN1	SDPS	1	1
	56.05	74.14	62.76
	3	H	HN2	SDPS	1	1
	57.18	73.27	61.89
	4	H	HN3	SDPS	1	1
	57.28	74.99	61.85
	5	C	C12	SDPS	1	1
	55.81	74.24	60.69
	6	H	H12A	SDPS	1	1
	56.44	74.2	59.82
	7	C	C13	SDPS	1	1
	54.78	73.12	60.59
	8	O	O13A	SDPS	1	1
	54.79	72.2	61.45
	9	O	O13B	SDPS	1	1
	54.11	73.13	59.55
	10	C	C11	SDPS	1	1
	55.1	75.61	60.65
	11	H	H11A	SDPS	1	1
	54.61	75.76	61.63
	12	H	H11B	SDPS	1	1
	54.27	75.58	59.89
	13	P	P	SDPS	1	1
	56.38	77.32	59.02
	14	O	O13	SDPS	1	1
	57.35	76.42	58.38
	15	O	O14	SDPS	1	1
	56.79	78.71	59.3
	16	O	O12	SDPS	1	1
	56.03	76.66	60.44
	17	O	O11	SDPS	1	1
	55.05	77.31	58.21
	18	C	C1	SDPS	1	1
	54.09	78.3	58.56
	19	H	HA	SDPS	1	1
	54.54	79.28	58.87
	20	H	HB	SDPS	1	1
	53.46	77.88	59.37
	21	C	C2	SDPS	1	1
	53.14	78.69	57.39
	22	H	HS	SDPS	1	1
	52.36	79.31	57.83
	23	O	O21	SDPS	1	1
	52.55	77.55	56.77
	24	C	C21	SDPS	1	1
	51.63	76.93	57.47
	25	O	O22	SDPS	1	1
	50.92	77.37	58.34
	26	C	C22	SDPS	1	1
	51.47	75.52	56.95
	27	H	H2R	SDPS	1	1
	50.85	75.66	56.05
	28	H	H2S	SDPS	1	1
	50.87	74.94	57.69
	29	C	C3	SDPS	1	1
	53.81	79.5	56.31
	30	H	HX	SDPS	1	1
	54.41	80.36	56.73
	31	H	HY	SDPS	1	1
	53.07	79.93	55.62
	32	O	O31	SDPS	1	1
	54.59	78.51	55.65
	33	C	C31	SDPS	1	1
	54.76	78.48	54.37
	34	O	O32	SDPS	1	1
	54.24	79.23	53.55
	35	C	C32	SDPS	1	1
	55.89	77.44	54.13
	36	H	H2X	SDPS	1	1
	55.67	76.64	54.83
	37	H	H2Y	SDPS	1	1
	56.96	77.65	54.37
	38	C	C23	SDPS	1	1
	52.86	74.91	56.61
	39	H	H3R	SDPS	1	1
	53.48	75.06	57.51
	40	H	H3S	SDPS	1	1
	53.23	75.41	55.71
	41	C	C24	SDPS	1	1
	52.94	73.45	56.39
	42	H	H4R	SDPS	1	1
	52.42	73.06	57.19
	43	C	C25	SDPS	1	1
	53.3	72.65	55.4
	44	H	H5R	SDPS	1	1
	53.01	71.56	55.4
	45	C	C26	SDPS	1	1
	53.76	73.35	54.18
	46	H	H6R	SDPS	1	1
	54.8	73.19	54.32
	47	H	H6S	SDPS	1	1
	53.34	74.36	54.03
	48	C	C27	SDPS	1	1
	53.71	72.76	52.91
	49	H	H7R	SDPS	1	1
	52.92	72.18	53.23
	50	C	C28	SDPS	1	1
	54.22	72.87	51.67
	51	H	H8R	SDPS	1	1
	54	72.21	50.78
	52	C	C29	SDPS	1	1
	55.15	73.87	51.33
	53	H	H9R	SDPS	1	1
	56.01	73.25	51.04
	54	H	H9S	SDPS	1	1
	55.32	74.4	52.27
	55	C	C210	SDPS	1	1
	54.54	74.71	50.26
	56	H	H10R	SDPS	1	1
	53.62	75.27	50.51
	57	C	C211	SDPS	1	1
	55.02	74.77	49.03
	58	H	H11R	SDPS	1	1
	54.5	75.4	48.3
	59	C	C212	SDPS	1	1
	56.22	74.03	48.53
	60	H	H12R	SDPS	1	1
	56.92	73.91	49.38
	61	H	H12S	SDPS	1	1
	56.71	74.86	47.97
	62	C	C213	SDPS	1	1
	56.04	72.66	47.81
	63	H	H13R	SDPS	1	1
	55.98	71.77	48.43
	64	C	C214	SDPS	1	1
	56.14	72.21	46.48
	65	H	H14R	SDPS	1	1
	56.6	71.3	46.26
	66	C	C215	SDPS	1	1
	56.43	72.59	45.06
	67	H	H15R	SDPS	1	1
	56.34	73.63	45.8
	68	H	H15S	SDPS	1	1
	55.89	73.65	44.71
	69	C	C216	SDPS	1	1
	58.2	71.81	44.22
	70	H	H16R	SDPS	1	1
	57.89	71.47	45.07
	71	C	C217	SDPS	1	1
	59.81	72.65	43.79
	72	H	H17R	SDPS	1	1
	60.35	72.52	42.79
	73	C	C218	SDPS	1	1
	60.35	74.63	43.84
	74	H	H18R	SDPS	1	1
	60.74	75.14	43.03
	75	H	H18S	SDPS	1	1
	60.41	75.3	44.72
	76	C	C219	SDPS	1	1
	59.83	76.22	43.61
	77	H	H19R	SDPS	1	1
	59.14	76.97	44.22
	78	C	C220	SDPS	1	1
	58.97	76.35	42.63
	79	H	H20R	SDPS	1	1
	58.8	77.5	42.29
	80	C	C221	SDPS	1	1
	57.59	75.14	40.77
	81	H	H21R	SDPS	1	1
	56.57	74.75	40.96
	82	H	H21S	SDPS	1	1
	57.85	74.23	40.22
	83	C	C222	SDPS	1	1
	57.5	75.27	39.03
	84	H	H22R	SDPS	1	1
	58.66	75.02	38.95
	85	H	H22S	SDPS	1	1
	57.27	76.31	38.54
	86	H	H22T	SDPS	1	1
	57.9	74.84	38.18
	87	C	C33	SDPS	1	1
	55.95	77	52.69
	88	H	H3X	SDPS	1	1
	54.93	76.9	52.3
	89	H	H3Y	SDPS	1	1
	56.4	75.99	52.73
	90	C	C34	SDPS	1	1
	56.88	77.88	51.88
	91	H	H4X	SDPS	1	1
	57.82	78.11	52.45
	92	H	H4Y	SDPS	1	1
	56.44	78.89	51.69
	93	C	C35	SDPS	1	1
	57.2	77.2	50.55
	94	H	H5X	SDPS	1	1
	56.43	77.37	49.78
	95	H	H5Y	SDPS	1	1
	57.56	76.16	50.66
	96	C	C36	SDPS	1	1
	58.37	77.88	50.05
	97	H	H6X	SDPS	1	1
	59.08	77.8	50.92
	98	H	H6Y	SDPS	1	1
	57.88	78.9	49.94
	99	C	C37	SDPS	1	1
	59.12	77.57	48.73
	100	H	H7X	SDPS	1	1
	59.87	76.83	48.83
	101	H	H7Y	SDPS	1	1
	60.08	78.06	48.51
	102	C	C38	SDPS	1	1
	58.16	77.51	47.58
	103	H	H8X	SDPS	1	1
	57.43	76.77	47.89
	104	H	H8Y	SDPS	1	1
	58.75	77.25	46.69
	105	C	C39	SDPS	1	1
	57.38	78.75	47.19
	106	H	H9X	SDPS	1	1
	58.27	79.23	46.85
	107	H	H9Y	SDPS	1	1
	57.08	79.51	47.92
	108	C	C310	SDPS	1	1
	56.37	78.55	46.05
	109	H	H10X	SDPS	1	1
	56.79	78.06	45.14
	110	H	H10Y	SDPS	1	1
	55.99	79.53	45.65
	111	C	C311	SDPS	1	1
	55.25	77.75	46.48
	112	H	H11X	SDPS	1	1
	55.11	77.85	47.58
	113	H	H11Y	SDPS	1	1
	55.45	76.67	46.25
	114	C	C312	SDPS	1	1
	54.1	78.37	45.77
	115	H	H12X	SDPS	1	1
	54.1	78.46	44.68
	116	H	H12Y	SDPS	1	1
	53.78	79.34	46.26
	117	C	C313	SDPS	1	1
	53.07	77.43	46.02
	118	H	H13X	SDPS	1	1
	52.33	78.15	46.05
	119	H	H13Y	SDPS	1	1
	53.31	77.07	47.04
	120	C	C314	SDPS	1	1
	52.79	76.36	45.05
	121	H	H14X	SDPS	1	1
	51.69	76.11	45.14
	122	H	H14Y	SDPS	1	1
	53.55	75.62	45.37
	123	C	C315	SDPS	1	1
	52.41	76.38	43.64
	124	H	H15X	SDPS	1	1
	53.31	76.82	43.22
	125	H	H15Y	SDPS	1	1
	51.5	77	43.48
	126	C	C316	SDPS	1	1
	52.02	74.98	43.15
	127	H	H16X	SDPS	1	1
	51.1	74.57	43.65
	128	H	H16Y	SDPS	1	1
	52.88	74.31	43.38
	129	C	C317	SDPS	1	1
	51.87	75.07	41.63
	130	H	H17X	SDPS	1	1
	52	74.08	41.13
	131	H	H17Y	SDPS	1	1
	52.7	75.75	41.36
	132	C	C318	SDPS	1	1
	50.64	75.72	41.05
	133	H	H18X	SDPS	1	1
	50.66	75.78	39.95
	134	H	H18Y	SDPS	1	1
	50.45	76.74	41.42
	135	H	H18Z	SDPS	1	1
	49.81	75.04	41.25

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

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

