# --------------------------------------------------------------------------
#
# 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 DGPS.gro
#
#---------------------------------------------------------------------------

data_DGPS

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

_entry.id	DGPS

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

_chemical.entry_id	DGPS
_chemical.name_common	'DGPS'

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

_chemical_formula.entry_id	DGPS
_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	DGPS	1	1
	21.83	0.18	61.25
	2	H	HN1	DGPS	1	1
	22.4	0.41	60.42
	3	H	HN2	DGPS	1	1
	22.51	-0.03	62
	4	H	HN3	DGPS	1	1
	21.23	-0.64	61.05
	5	C	C12	DGPS	1	1
	21.02	1.4	61.52
	6	H	H12A	DGPS	1	1
	20.49	1.23	62.44
	7	C	C13	DGPS	1	1
	21.88	2.67	61.76
	8	O	O13A	DGPS	1	1
	23.09	2.46	62.02
	9	O	O13B	DGPS	1	1
	21.25	3.66	62.23
	10	C	C11	DGPS	1	1
	20.01	1.63	60.38
	11	H	H11A	DGPS	1	1
	20.5	1.67	59.38
	12	H	H11B	DGPS	1	1
	19.53	2.63	60.54
	13	P	P	DGPS	1	1
	17.65	0.85	59.71
	14	O	O13	DGPS	1	1
	16.76	1.44	60.7
	15	O	O14	DGPS	1	1
	17.94	1.58	58.46
	16	O	O12	DGPS	1	1
	19.04	0.59	60.43
	17	O	O11	DGPS	1	1
	17.23	-0.68	59.54
	18	C	C1	DGPS	1	1
	18	-1.82	59.86
	19	H	HA	DGPS	1	1
	17.31	-2.7	59.86
	20	H	HB	DGPS	1	1
	18.33	-1.64	60.9
	21	C	C2	DGPS	1	1
	19.34	-2.22	59.09
	22	H	HS	DGPS	1	1
	19.82	-2.71	59.94
	23	O	O21	DGPS	1	1
	20.1	-1.11	58.7
	24	C	C21	DGPS	1	1
	21.38	-1.44	58.76
	25	O	O22	DGPS	1	1
	21.86	-2.3	59.48
	26	C	C22	DGPS	1	1
	22.14	-0.4	58.01
	27	H	H2R	DGPS	1	1
	23.17	-0.7	57.81
	28	H	H2S	DGPS	1	1
	22.15	0.54	58.6
	29	C	C3	DGPS	1	1
	19.24	-3.16	57.77
	30	H	HX	DGPS	1	1
	18.36	-3.64	58.21
	31	H	HY	DGPS	1	1
	20.05	-3.9	57.59
	32	O	O31	DGPS	1	1
	18.51	-2.86	56.61
	33	C	C31	DGPS	1	1
	18.91	-2.45	55.44
	34	O	O32	DGPS	1	1
	20.02	-2.54	54.96
	35	C	C32	DGPS	1	1
	17.65	-1.68	54.84
	36	H	H2X	DGPS	1	1
	18.07	-1.19	53.98
	37	H	H2Y	DGPS	1	1
	17.43	-0.71	55.27
	38	C	C23	DGPS	1	1
	21.47	-0.22	56.66
	39	H	H3R	DGPS	1	1
	20.41	0.11	56.72
	40	H	H3S	DGPS	1	1
	21.53	-1.11	55.98
	41	C	C24	DGPS	1	1
	22.26	0.78	55.94
	42	H	H4R	DGPS	1	1
	23.23	0.3	55.66
	43	H	H4S	DGPS	1	1
	22.42	1.59	56.68
	44	C	C25	DGPS	1	1
	21.55	1.24	54.69
	45	H	H5R	DGPS	1	1
	21.21	0.38	54.08
	46	H	H5S	DGPS	1	1
	22.27	1.73	54.01
	47	C	C26	DGPS	1	1
	20.47	2.25	55.06
	48	H	H6R	DGPS	1	1
	20.83	2.96	55.86
	49	H	H6S	DGPS	1	1
	19.57	1.77	55.49
	50	C	C27	DGPS	1	1
	20.14	3.13	53.87
	51	H	H7R	DGPS	1	1
	20.9	3.93	53.9
	52	H	H7S	DGPS	1	1
	19.13	3.56	54.02
	53	C	C28	DGPS	1	1
	19.93	2.45	52.54
	54	H	H8R	DGPS	1	1
	19	1.85	52.75
	55	H	H8S	DGPS	1	1
	20.75	1.76	52.29
	56	C	C29	DGPS	1	1
	19.59	3.38	51.36
	57	H	H9R	DGPS	1	1
	19.3	2.71	50.52
	58	H	H9S	DGPS	1	1
	20.49	3.93	51.02
	59	C	C210	DGPS	1	1
	18.41	4.34	51.63
	60	H	H10R	DGPS	1	1
	18.61	4.94	52.54
	61	H	H10S	DGPS	1	1
	17.51	3.75	51.89
	62	C	C211	DGPS	1	1
	18.15	5.32	50.52
	63	H	H11R	DGPS	1	1
	18.54	6.31	50.69
	64	C	C212	DGPS	1	1
	17.29	5.21	49.52
	65	H	H12R	DGPS	1	1
	17.21	6.03	48.77
	66	C	C213	DGPS	1	1
	16.39	4.03	49.35
	67	H	H13R	DGPS	1	1
	15.39	4.44	49.59
	68	H	H13S	DGPS	1	1
	16.58	3.22	50.07
	69	C	C214	DGPS	1	1
	16.28	3.46	47.94
	70	H	H14R	DGPS	1	1
	16.09	4.31	47.25
	71	H	H14S	DGPS	1	1
	15.4	2.77	48
	72	C	C215	DGPS	1	1
	17.34	2.58	47.33
	73	H	H15R	DGPS	1	1
	17.68	1.89	48.1
	74	H	H15S	DGPS	1	1
	18.19	3.21	46.98
	75	C	C216	DGPS	1	1
	16.74	1.89	46.1
	76	H	H16R	DGPS	1	1
	15.75	1.39	46.29
	77	H	H16S	DGPS	1	1
	17.39	1.13	45.63
	78	C	C217	DGPS	1	1
	16.56	3.04	45.18
	79	H	H17R	DGPS	1	1
	17.32	3.84	45.24
	80	H	H17S	DGPS	1	1
	15.56	3.48	45.41
	81	C	C218	DGPS	1	1
	16.57	2.71	43.77
	82	H	H18R	DGPS	1	1
	15.99	1.73	43.71
	83	H	H18S	DGPS	1	1
	17.52	2.51	43.24
	84	C	C219	DGPS	1	1
	15.82	3.97	43.31
	85	H	H19R	DGPS	1	1
	14.93	4.32	43.82
	86	H	H19S	DGPS	1	1
	15.16	3.29	42.88
	87	C	C220	DGPS	1	1
	16.29	5.19	42.5
	88	H	H20R	DGPS	1	1
	15.39	5.81	42.29
	89	H	H20S	DGPS	1	1
	16.97	5.8	43.13
	90	H	H20T	DGPS	1	1
	16.74	5.03	41.5
	91	C	C33	DGPS	1	1
	16.22	-2.31	54.94
	92	H	H3X	DGPS	1	1
	15.93	-2.59	55.97
	93	H	H3Y	DGPS	1	1
	16.07	-3.1	54.25
	94	C	C34	DGPS	1	1
	15.02	-1.7	54.32
	95	H	H4X	DGPS	1	1
	14.34	-1.52	55.1
	96	H	H4Y	DGPS	1	1
	14.33	-2.36	53.76
	97	C	C35	DGPS	1	1
	15.46	-0.75	53.31
	98	H	H5X	DGPS	1	1
	15.74	0.22	53.74
	99	H	H5Y	DGPS	1	1
	14.58	-0.74	52.64
	100	C	C36	DGPS	1	1
	16.34	-1.29	52.25
	101	H	H6X	DGPS	1	1
	15.8	-2.2	51.93
	102	H	H6Y	DGPS	1	1
	17.33	-1.65	52.45
	103	C	C37	DGPS	1	1
	16.41	-0.29	51.16
	104	H	H7X	DGPS	1	1
	16.55	0.78	51.34
	105	H	H7Y	DGPS	1	1
	15.42	-0.33	50.84
	106	C	C38	DGPS	1	1
	16.84	-0.92	49.9
	107	H	H8X	DGPS	1	1
	16.35	-0.41	49.05
	108	H	H8Y	DGPS	1	1
	16.48	-1.97	49.94
	109	C	C39	DGPS	1	1
	18.22	-0.56	49.54
	110	H	H9X	DGPS	1	1
	18.82	-1.25	50.2
	111	H	H9Y	DGPS	1	1
	18.3	0.47	49.94
	112	C	C310	DGPS	1	1
	18.41	-0.6	48.02
	113	H	H10X	DGPS	1	1
	19.49	-0.48	47.89
	114	H	H10Y	DGPS	1	1
	17.83	0.18	47.42
	115	C	C311	DGPS	1	1
	17.74	-1.81	47.51
	116	H	H11X	DGPS	1	1
	18.21	-2.37	48.45
	117	C	C312	DGPS	1	1
	17.7	-2.49	46.43
	118	H	H12X	DGPS	1	1
	17.54	-3.61	46.33
	119	C	C313	DGPS	1	1
	18.08	-1.85	45.1
	120	H	H13X	DGPS	1	1
	17.29	-1.2	44.83
	121	H	H13Y	DGPS	1	1
	18.2	-2.69	44.4
	122	C	C314	DGPS	1	1
	19.49	-1.13	44.89
	123	H	H14X	DGPS	1	1
	20.32	-1.8	44.91
	124	H	H14Y	DGPS	1	1
	19.62	-0.37	45.66
	125	C	C315	DGPS	1	1
	20.05	-0.78	43.59
	126	H	H15X	DGPS	1	1
	20.06	-1.63	42.88
	127	H	H15Y	DGPS	1	1
	21.14	-0.54	43.65
	128	C	C316	DGPS	1	1
	19.25	0.44	43.46
	129	H	H16X	DGPS	1	1
	19.45	1.11	44.32
	130	H	H16Y	DGPS	1	1
	18.17	0.19	43.52
	131	C	C317	DGPS	1	1
	19.64	1.02	42.16
	132	H	H17X	DGPS	1	1
	20.75	1.03	42.14
	133	H	H17Y	DGPS	1	1
	19.26	2.07	42.22
	134	C	C318	DGPS	1	1
	19	0.03	41.19
	135	H	H18X	DGPS	1	1
	17.94	-0	41.52
	136	H	H18Y	DGPS	1	1
	19.4	-0.98	41.25
	137	C	C319	DGPS	1	1
	19.01	0.24	39.71
	138	H	H19X	DGPS	1	1
	18.81	1.27	39.57
	139	H	H19Y	DGPS	1	1
	18.2	-0.27	39.18
	140	C	C320	DGPS	1	1
	20.26	-0.04	38.98
	141	H	H20X	DGPS	1	1
	20.14	0.51	38.01
	142	H	H20Y	DGPS	1	1
	21.09	0.37	39.59
	143	H	H20Z	DGPS	1	1
	20.41	-1.11	38.82

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

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

