# --------------------------------------------------------------------------
#
# 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 SDPC.gro
#
#---------------------------------------------------------------------------

data_SDPC

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

_entry.id	SDPC

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

_chemical.entry_id	SDPC
_chemical.name_common	'SDPC'

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

_chemical_formula.entry_id	SDPC
_chemical_formula.structural	'C48H89NO8P'

###############
## 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	SDPC	1	1
	32.55	35.32	59.8
	2	C	C12	SDPC	1	1
	32.49	36.51	60.74
	3	H	H12A	SDPC	1	1
	32.18	36.1	61.7
	4	H	H12B	SDPC	1	1
	33.5	36.88	60.85
	5	C	C13	SDPC	1	1
	32.89	35.75	58.39
	6	H	H13A	SDPC	1	1
	33.16	34.89	57.79
	7	H	H13B	SDPC	1	1
	32.06	36.29	57.93
	8	H	H13C	SDPC	1	1
	33.76	36.41	58.4
	9	C	C14	SDPC	1	1
	33.63	34.37	60.19
	10	H	H14A	SDPC	1	1
	33.46	33.99	61.18
	11	H	H14B	SDPC	1	1
	34.59	34.83	60.11
	12	H	H14C	SDPC	1	1
	33.64	33.51	59.51
	13	C	C15	SDPC	1	1
	31.27	34.57	59.91
	14	H	H15A	SDPC	1	1
	30.37	35.16	59.71
	15	H	H15B	SDPC	1	1
	31.25	33.72	59.24
	16	H	H15C	SDPC	1	1
	31.07	34.24	60.93
	17	C	C11	SDPC	1	1
	31.45	37.63	60.44
	18	H	H11A	SDPC	1	1
	31.45	37.84	59.35
	19	H	H11B	SDPC	1	1
	31.7	38.59	60.94
	20	P	P	SDPC	1	1
	28.87	37.72	60.16
	21	O	O13	SDPC	1	1
	28.6	39.14	60.43
	22	O	O14	SDPC	1	1
	27.76	36.8	60.42
	23	O	O12	SDPC	1	1
	30.17	37.22	60.94
	24	O	O11	SDPC	1	1
	29.35	37.51	58.67
	25	C	C1	SDPC	1	1
	28.47	37.82	57.59
	26	H	HA	SDPC	1	1
	27.56	37.19	57.65
	27	H	HB	SDPC	1	1
	28.15	38.9	57.6
	28	C	C2	SDPC	1	1
	29.2	37.62	56.25
	29	H	HS	SDPC	1	1
	28.5	37.95	55.45
	30	O	O21	SDPC	1	1
	29.6	36.25	55.98
	31	C	C21	SDPC	1	1
	28.7	35.28	55.97
	32	O	O22	SDPC	1	1
	27.51	35.4	56.16
	33	C	C22	SDPC	1	1
	29.36	33.97	55.55
	34	H	H2R	SDPC	1	1
	30.23	33.78	56.21
	35	H	H2S	SDPC	1	1
	28.62	33.15	55.69
	36	C	C3	SDPC	1	1
	30.47	38.54	56.3
	37	H	HX	SDPC	1	1
	31.06	38.38	57.22
	38	H	HY	SDPC	1	1
	30.19	39.62	56.33
	39	O	O31	SDPC	1	1
	31.4	38.19	55.27
	40	C	C31	SDPC	1	1
	31.12	38.69	54.1
	41	O	O32	SDPC	1	1
	30.33	39.57	53.84
	42	C	C32	SDPC	1	1
	31.94	37.91	53.1
	43	H	H2X	SDPC	1	1
	32.93	38.38	53.04
	44	H	H2Y	SDPC	1	1
	32.11	36.87	53.45
	45	C	C23	SDPC	1	1
	29.86	34.06	54.1
	46	H	H3R	SDPC	1	1
	30.57	34.93	54.09
	47	H	H3S	SDPC	1	1
	28.98	34.27	53.45
	48	C	C24	SDPC	1	1
	30.47	32.78	53.6
	49	H	H4R	SDPC	1	1
	29.76	31.95	53.46
	50	C	C25	SDPC	1	1
	31.75	32.58	53.29
	51	H	H5R	SDPC	1	1
	32.03	31.55	53.09
	52	C	C26	SDPC	1	1
	32.85	33.59	53.37
	53	H	H6R	SDPC	1	1
	32.82	34	54.41
	54	H	H6S	SDPC	1	1
	32.74	34.39	52.64
	55	C	C27	SDPC	1	1
	34.23	33.19	53.04
	56	H	H7R	SDPC	1	1
	34.81	33.37	53.91
	57	C	C28	SDPC	1	1
	34.77	32.54	51.98
	58	H	H8R	SDPC	1	1
	35.88	32.33	51.99
	59	C	C29	SDPC	1	1
	33.99	32.06	50.78
	60	H	H9R	SDPC	1	1
	34.53	31.26	50.22
	61	H	H9S	SDPC	1	1
	32.97	31.9	51
	62	C	C210	SDPC	1	1
	33.6	33.19	49.97
	63	H	H10R	SDPC	1	1
	33.78	34.03	50.61
	64	C	C211	SDPC	1	1
	32.94	33.65	48.92
	65	H	H11R	SDPC	1	1
	33.44	34.46	48.35
	66	C	C212	SDPC	1	1
	32.21	32.78	48.06
	67	H	H12R	SDPC	1	1
	32.83	31.91	48.13
	68	H	H12S	SDPC	1	1
	32.25	32.96	47
	69	C	C213	SDPC	1	1
	30.92	33.01	48.83
	70	H	H13R	SDPC	1	1
	30.82	32.54	49.84
	71	C	C214	SDPC	1	1
	29.94	33.83	48.43
	72	H	H14R	SDPC	1	1
	29.1	33.93	49.1
	73	C	C215	SDPC	1	1
	29.92	34.64	47.15
	74	H	H15R	SDPC	1	1
	30.08	33.92	46.32
	75	H	H15S	SDPC	1	1
	30.73	35.39	47.11
	76	C	C216	SDPC	1	1
	28.61	35.32	46.89
	77	H	H16R	SDPC	1	1
	28.51	36.37	47.22
	78	C	C217	SDPC	1	1
	27.59	34.81	46.19
	79	H	H17R	SDPC	1	1
	26.67	35.39	46.08
	80	C	C218	SDPC	1	1
	27.56	33.48	45.51
	81	H	H18R	SDPC	1	1
	27.29	32.67	46.23
	82	H	H18S	SDPC	1	1
	28.56	33.21	45.09
	83	C	C219	SDPC	1	1
	26.53	33.62	44.4
	84	H	H19R	SDPC	1	1
	25.65	32.96	44.51
	85	C	C220	SDPC	1	1
	26.68	34.25	43.22
	86	H	H20R	SDPC	1	1
	26.02	33.89	42.41
	87	C	C221	SDPC	1	1
	27.92	34.94	42.69
	88	H	H21R	SDPC	1	1
	28.57	35.36	43.48
	89	H	H21S	SDPC	1	1
	28.57	34.27	42.07
	90	C	C222	SDPC	1	1
	27.51	36.03	41.73
	91	H	H22R	SDPC	1	1
	28.42	36.66	41.61
	92	H	H22S	SDPC	1	1
	26.67	36.66	42.1
	93	H	H22T	SDPC	1	1
	27.19	35.55	40.77
	94	C	C33	SDPC	1	1
	31.1	37.84	51.82
	95	H	H3X	SDPC	1	1
	29.99	37.89	52
	96	H	H3Y	SDPC	1	1
	31.24	36.84	51.35
	97	C	C34	SDPC	1	1
	31.54	38.85	50.78
	98	H	H4X	SDPC	1	1
	31.07	38.51	49.82
	99	H	H4Y	SDPC	1	1
	31.24	39.9	50.99
	100	C	C35	SDPC	1	1
	33.04	38.87	50.56
	101	H	H5X	SDPC	1	1
	33.47	37.85	50.72
	102	H	H5Y	SDPC	1	1
	33.52	39.55	51.3
	103	C	C36	SDPC	1	1
	33.34	39.36	49.15
	104	H	H6X	SDPC	1	1
	32.52	39.66	48.49
	105	H	H6Y	SDPC	1	1
	33.94	40.29	49.3
	106	C	C37	SDPC	1	1
	33.9	38.19	48.36
	107	H	H7X	SDPC	1	1
	34.65	37.96	49.14
	108	H	H7Y	SDPC	1	1
	33.57	37.15	48.37
	109	C	C38	SDPC	1	1
	34.32	38.48	46.88
	110	H	H8X	SDPC	1	1
	34.89	39.43	46.68
	111	H	H8Y	SDPC	1	1
	34.95	37.61	46.58
	112	C	C39	SDPC	1	1
	33.54	39.19	45.87
	113	H	H9X	SDPC	1	1
	33.29	40.22	46.27
	114	H	H9Y	SDPC	1	1
	34.19	39.31	44.95
	115	C	C310	SDPC	1	1
	32.38	38.31	45.74
	116	H	H10X	SDPC	1	1
	31.92	38.26	46.76
	117	H	H10Y	SDPC	1	1
	31.74	38.8	45.01
	118	C	C311	SDPC	1	1
	32.75	36.91	45.27
	119	H	H11X	SDPC	1	1
	31.9	36.23	45.5
	120	H	H11Y	SDPC	1	1
	33.63	36.49	45.8
	121	C	C312	SDPC	1	1
	33.1	36.91	43.8
	122	H	H12X	SDPC	1	1
	33.49	37.91	43.47
	123	H	H12Y	SDPC	1	1
	33.94	36.2	43.66
	124	C	C313	SDPC	1	1
	31.95	36.43	42.93
	125	H	H13X	SDPC	1	1
	31.07	37.07	43.12
	126	H	H13Y	SDPC	1	1
	31.71	35.37	43.17
	127	C	C314	SDPC	1	1
	32.24	36.6	41.47
	128	H	H14X	SDPC	1	1
	32.7	37.62	41.34
	129	H	H14Y	SDPC	1	1
	31.38	36.46	40.79
	130	C	C315	SDPC	1	1
	33.14	35.57	40.95
	131	H	H15X	SDPC	1	1
	33.9	35.41	41.66
	132	H	H15Y	SDPC	1	1
	32.85	34.54	40.75
	133	C	C316	SDPC	1	1
	33.48	36.19	39.7
	134	H	H16X	SDPC	1	1
	34.15	35.49	39.44
	135	H	H16Y	SDPC	1	1
	33.92	37.15	39.76
	136	C	C317	SDPC	1	1
	32.88	35.77	38.49
	137	H	H17X	SDPC	1	1
	31.95	36.33	38.45
	138	H	H17Y	SDPC	1	1
	32.59	34.79	38.67
	139	C	C318	SDPC	1	1
	33.77	35.88	37.26
	140	H	H18X	SDPC	1	1
	33.53	35.35	36.42
	141	H	H18Y	SDPC	1	1
	34.78	35.82	37.04
	142	H	H18Z	SDPC	1	1
	33.94	36.78	37.03

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

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

