# --------------------------------------------------------------------------
#
# 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 SDPG.gro
#
#---------------------------------------------------------------------------

data_SDPG

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

_entry.id	SDPG

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

_chemical.entry_id	SDPG
_chemical.name_common	'SDPG'

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

_chemical_formula.entry_id	SDPG
_chemical_formula.structural	'C46H81O10P'

###############
## 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	C	C13	SDPG	1	1
	54.01	14.04	60.79
	2	H	H13A	SDPG	1	1
	54.52	13.48	61.6
	3	H	H13B	SDPG	1	1
	54.82	14.46	60.16
	4	O	OC3	SDPG	1	1
	53.2	13.09	60.09
	5	H	HO3	SDPG	1	1
	52.98	13.43	59.21
	6	C	C12	SDPG	1	1
	53.15	15.18	61.41
	7	H	H12A	SDPG	1	1
	52.17	14.75	61.75
	8	O	OC2	SDPG	1	1
	53.83	15.74	62.53
	9	H	HO2	SDPG	1	1
	54.71	15.92	62.2
	10	C	C11	SDPG	1	1
	52.86	16.34	60.45
	11	H	H11A	SDPG	1	1
	53.83	16.82	60.19
	12	H	H11B	SDPG	1	1
	52.24	17.09	60.99
	13	P	P	SDPG	1	1
	50.66	15.85	59.02
	14	O	O13	SDPG	1	1
	50.14	17.23	59.19
	15	O	O14	SDPG	1	1
	49.97	14.75	59.72
	16	O	O12	SDPG	1	1
	52.22	15.87	59.27
	17	O	O11	SDPG	1	1
	50.65	15.48	57.51
	18	C	C1	SDPG	1	1
	51.1	16.44	56.55
	19	H	HA	SDPG	1	1
	51.88	17.13	56.95
	20	H	HB	SDPG	1	1
	50.21	17.03	56.27
	21	C	C2	SDPG	1	1
	51.67	15.72	55.29
	22	H	HS	SDPG	1	1
	51.79	16.47	54.48
	23	O	O21	SDPG	1	1
	50.77	14.64	54.96
	24	C	C21	SDPG	1	1
	49.96	14.73	53.94
	25	O	O22	SDPG	1	1
	50.01	15.55	53.04
	26	C	C22	SDPG	1	1
	48.91	13.62	54.06
	27	H	H2R	SDPG	1	1
	48.11	13.75	53.3
	28	H	H2S	SDPG	1	1
	48.45	13.72	55.07
	29	C	C3	SDPG	1	1
	53.09	15.15	55.59
	30	H	HX	SDPG	1	1
	52.99	14.41	56.42
	31	H	HY	SDPG	1	1
	53.72	15.96	56.02
	32	O	O31	SDPG	1	1
	53.75	14.69	54.38
	33	C	C31	SDPG	1	1
	53.89	13.37	54.3
	34	O	O32	SDPG	1	1
	53.61	12.58	55.17
	35	C	C32	SDPG	1	1
	54.34	12.96	52.84
	36	H	H2X	SDPG	1	1
	54.1	11.88	52.71
	37	H	H2Y	SDPG	1	1
	55.44	13.07	52.71
	38	C	C23	SDPG	1	1
	49.56	12.23	53.98
	39	H	H3R	SDPG	1	1
	50.22	12.08	54.85
	40	H	H3S	SDPG	1	1
	50.14	11.99	53.07
	41	C	C24	SDPG	1	1
	48.55	11.19	54.07
	42	H	H4R	SDPG	1	1
	48.2	11.14	55.1
	43	C	C25	SDPG	1	1
	48.07	10.47	53.04
	44	H	H5R	SDPG	1	1
	47.32	9.7	53.15
	45	C	C26	SDPG	1	1
	48.4	10.52	51.61
	46	H	H6R	SDPG	1	1
	47.79	9.71	51.17
	47	H	H6S	SDPG	1	1
	49.37	10.09	51.38
	48	C	C27	SDPG	1	1
	48.19	11.85	50.92
	49	H	H7R	SDPG	1	1
	47.34	12.49	51.25
	50	C	C28	SDPG	1	1
	48.81	12.18	49.78
	51	H	H8R	SDPG	1	1
	48.48	13.07	49.23
	52	C	C29	SDPG	1	1
	49.79	11.29	49.07
	53	H	H9R	SDPG	1	1
	50.55	10.96	49.8
	54	H	H9S	SDPG	1	1
	50.35	11.93	48.35
	55	C	C210	SDPG	1	1
	49.17	10.06	48.47
	56	H	H10R	SDPG	1	1
	48.89	9.28	49.19
	57	C	C211	SDPG	1	1
	49.18	9.69	47.19
	58	H	H11R	SDPG	1	1
	48.77	8.7	46.96
	59	C	C212	SDPG	1	1
	49.85	10.45	46.08
	60	H	H12R	SDPG	1	1
	50.51	9.75	45.63
	61	H	H12S	SDPG	1	1
	50.63	11.14	46.46
	62	C	C213	SDPG	1	1
	49.05	11.07	44.99
	63	H	H13R	SDPG	1	1
	48.09	11.43	45.37
	64	C	C214	SDPG	1	1
	49.35	11.19	43.68
	65	H	H14R	SDPG	1	1
	48.61	11.69	43.05
	66	C	C215	SDPG	1	1
	50.57	10.73	42.91
	67	H	H15R	SDPG	1	1
	51.33	10.18	43.51
	68	H	H15S	SDPG	1	1
	51.14	11.59	42.51
	69	C	C216	SDPG	1	1
	50.12	9.84	41.8
	70	H	H16R	SDPG	1	1
	50.06	8.83	42.1
	71	C	C217	SDPG	1	1
	49.59	10.08	40.63
	72	H	H17R	SDPG	1	1
	49.38	9.25	39.91
	73	C	C218	SDPG	1	1
	49.33	11.46	40.22
	74	H	H18R	SDPG	1	1
	49.25	11.24	39.22
	75	H	H18S	SDPG	1	1
	50.15	12.19	40.42
	76	C	C219	SDPG	1	1
	47.93	11.88	40.33
	77	H	H19R	SDPG	1	1
	47.24	11.05	40.11
	78	C	C220	SDPG	1	1
	47.41	13.09	40.52
	79	H	H20R	SDPG	1	1
	46.33	13.1	40.63
	80	C	C221	SDPG	1	1
	48.04	14.45	40.67
	81	H	H21R	SDPG	1	1
	47.24	15.23	40.71
	82	H	H21S	SDPG	1	1
	48.72	14.71	39.83
	83	C	C222	SDPG	1	1
	48.83	14.51	41.97
	84	H	H22R	SDPG	1	1
	48.3	13.98	42.79
	85	H	H22S	SDPG	1	1
	48.99	15.55	42.28
	86	H	H22T	SDPG	1	1
	49.83	14.05	41.81
	87	C	C33	SDPG	1	1
	53.69	13.79	51.74
	88	H	H3X	SDPG	1	1
	54.11	14.81	51.87
	89	H	H3Y	SDPG	1	1
	52.59	13.85	51.94
	90	C	C34	SDPG	1	1
	53.91	13.26	50.32
	91	H	H4X	SDPG	1	1
	53.31	12.37	50.05
	92	H	H4Y	SDPG	1	1
	54.94	12.95	50.11
	93	C	C35	SDPG	1	1
	53.52	14.28	49.29
	94	H	H5X	SDPG	1	1
	53.53	13.72	48.32
	95	H	H5Y	SDPG	1	1
	54.27	15.12	49.31
	96	C	C36	SDPG	1	1
	52.21	14.98	49.5
	97	H	H6X	SDPG	1	1
	52.43	15.75	50.28
	98	H	H6Y	SDPG	1	1
	51.51	14.26	49.96
	99	C	C37	SDPG	1	1
	51.67	15.66	48.23
	100	H	H7X	SDPG	1	1
	52.52	16.17	47.73
	101	H	H7Y	SDPG	1	1
	51	16.51	48.49
	102	C	C38	SDPG	1	1
	51.06	14.69	47.19
	103	H	H8X	SDPG	1	1
	50.07	14.28	47.53
	104	H	H8Y	SDPG	1	1
	51.72	13.8	47.08
	105	C	C39	SDPG	1	1
	50.78	15.37	45.84
	106	H	H9X	SDPG	1	1
	50.06	16.18	46.1
	107	H	H9Y	SDPG	1	1
	50.23	14.67	45.18
	108	C	C310	SDPG	1	1
	51.92	16.03	45.01
	109	H	H10X	SDPG	1	1
	52.57	16.63	45.7
	110	H	H10Y	SDPG	1	1
	51.45	16.7	44.28
	111	C	C311	SDPG	1	1
	52.92	15.15	44.24
	112	H	H11X	SDPG	1	1
	52.78	14.28	44.85
	113	H	H11Y	SDPG	1	1
	53.94	15.6	44.17
	114	C	C312	SDPG	1	1
	52.68	14.28	43.02
	115	H	H12X	SDPG	1	1
	51.81	13.61	43.21
	116	H	H12Y	SDPG	1	1
	53.56	13.6	42.88
	117	C	C313	SDPG	1	1
	52.51	15.24	41.89
	118	H	H13X	SDPG	1	1
	53.36	15.96	41.91
	119	H	H13Y	SDPG	1	1
	51.58	15.79	42.13
	120	C	C314	SDPG	1	1
	52.42	14.58	40.53
	121	H	H14X	SDPG	1	1
	51.48	13.99	40.46
	122	H	H14Y	SDPG	1	1
	53.26	13.87	40.4
	123	C	C315	SDPG	1	1
	52.43	15.61	39.42
	124	H	H15X	SDPG	1	1
	53.35	16.2	39.45
	125	H	H15Y	SDPG	1	1
	51.66	16.39	39.53
	126	C	C316	SDPG	1	1
	52.3	14.96	38.08
	127	H	H16X	SDPG	1	1
	52.96	14.09	37.9
	128	H	H16Y	SDPG	1	1
	52.68	15.64	37.31
	129	C	C317	SDPG	1	1
	50.9	14.54	37.85
	130	H	H17X	SDPG	1	1
	50.18	15.3	37.59
	131	H	H17Y	SDPG	1	1
	50.41	13.98	38.67
	132	C	C318	SDPG	1	1
	50.97	13.69	36.71
	133	H	H18X	SDPG	1	1
	49.92	13.39	36.51
	134	H	H18Y	SDPG	1	1
	51.74	12.96	36.83
	135	H	H18Z	SDPG	1	1
	51.61	13.76	35.86

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

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

