# --------------------------------------------------------------------------
#
# 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 DNPG.gro
#
#---------------------------------------------------------------------------

data_DNPG

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

_entry.id	DNPG

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

_chemical.entry_id	DNPG
_chemical.name_common	'DNPG'

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

_chemical_formula.entry_id	DNPG
_chemical_formula.structural	'C54H105O10P'

###############
## 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	DNPG	1	1
	15.26	39.72	62.88
	2	H	H13A	DNPG	1	1
	16.14	39.07	62.79
	3	H	H13B	DNPG	1	1
	15.6	40.77	63.07
	4	O	OC3	DNPG	1	1
	14.61	39.57	61.63
	5	H	HO3	DNPG	1	1
	15.06	40.13	60.98
	6	C	C12	DNPG	1	1
	14.43	39.18	64.09
	7	H	H12A	DNPG	1	1
	14.11	38.15	63.82
	8	O	OC2	DNPG	1	1
	15.28	39.03	65.24
	9	H	HO2	DNPG	1	1
	14.78	39.36	66
	10	C	C11	DNPG	1	1
	13.11	39.98	64.37
	11	H	H11A	DNPG	1	1
	12.68	40.25	63.38
	12	H	H11B	DNPG	1	1
	13.38	40.92	64.9
	13	P	P	DNPG	1	1
	10.71	39.95	65.39
	14	O	O13	DNPG	1	1
	10.2	39.31	66.61
	15	O	O14	DNPG	1	1
	10.93	41.42	65.39
	16	O	O12	DNPG	1	1
	12.14	39.21	65.11
	17	O	O11	DNPG	1	1
	9.74	39.55	64.22
	18	C	C1	DNPG	1	1
	9.39	38.23	63.83
	19	H	HA	DNPG	1	1
	8.41	38.28	63.31
	20	H	HB	DNPG	1	1
	9.25	37.57	64.71
	21	C	C2	DNPG	1	1
	10.43	37.64	62.84
	22	H	HS	DNPG	1	1
	11.45	37.89	63.2
	23	O	O21	DNPG	1	1
	10.23	38.14	61.53
	24	C	C21	DNPG	1	1
	10.47	39.38	61.23
	25	O	O22	DNPG	1	1
	10.85	40.29	61.94
	26	C	C22	DNPG	1	1
	10.15	39.49	59.76
	27	H	H2R	DNPG	1	1
	9.08	39.67	59.77
	28	H	H2S	DNPG	1	1
	10.28	38.51	59.26
	29	C	C3	DNPG	1	1
	10.39	36.1	62.66
	30	H	HX	DNPG	1	1
	9.46	35.84	62.1
	31	H	HY	DNPG	1	1
	10.32	35.59	63.65
	32	O	O31	DNPG	1	1
	11.55	35.71	61.9
	33	C	C31	DNPG	1	1
	12.59	35.19	62.56
	34	O	O32	DNPG	1	1
	12.54	34.81	63.71
	35	C	C32	DNPG	1	1
	13.87	35.22	61.68
	36	H	H2X	DNPG	1	1
	14.16	34.18	61.41
	37	H	H2Y	DNPG	1	1
	14.73	35.53	62.28
	38	C	C23	DNPG	1	1
	10.92	40.59	59.02
	39	H	H3R	DNPG	1	1
	10.99	41.51	59.62
	40	H	H3S	DNPG	1	1
	10.39	40.91	58.1
	41	C	C24	DNPG	1	1
	12.25	40.04	58.54
	42	H	H4R	DNPG	1	1
	12.13	39.79	57.46
	43	H	H4S	DNPG	1	1
	12.47	39.1	59.08
	44	C	C25	DNPG	1	1
	13.44	40.97	58.78
	45	H	H5R	DNPG	1	1
	14.31	40.51	58.26
	46	H	H5S	DNPG	1	1
	13.66	41.04	59.85
	47	C	C26	DNPG	1	1
	13.22	42.4	58.29
	48	H	H6R	DNPG	1	1
	14.14	43.03	58.39
	49	H	H6S	DNPG	1	1
	12.39	42.93	58.8
	50	C	C27	DNPG	1	1
	12.85	42.3	56.85
	51	H	H7R	DNPG	1	1
	11.86	41.91	56.78
	52	H	H7S	DNPG	1	1
	13.39	41.59	56.3
	53	C	C28	DNPG	1	1
	13.18	43.45	56
	54	H	H8R	DNPG	1	1
	14.24	43.71	55.82
	55	H	H8S	DNPG	1	1
	12.97	44.2	56.78
	56	C	C29	DNPG	1	1
	12.37	43.17	54.69
	57	H	H9R	DNPG	1	1
	11.52	43.79	54.74
	58	H	H9S	DNPG	1	1
	11.55	42.47	54.76
	59	C	C210	DNPG	1	1
	13.13	43.13	53.31
	60	H	H10R	DNPG	1	1
	12.89	42.04	53.19
	61	H	H10S	DNPG	1	1
	14.11	43.52	53.59
	62	C	C211	DNPG	1	1
	13.07	43.73	51.82
	63	H	H11R	DNPG	1	1
	13.15	44.79	51.55
	64	H	H11S	DNPG	1	1
	12.17	43.33	51.49
	65	C	C212	DNPG	1	1
	13.47	43.11	50.49
	66	H	H12R	DNPG	1	1
	14.49	43.48	50.58
	67	H	H12S	DNPG	1	1
	13.19	43.69	49.59
	68	C	C213	DNPG	1	1
	12.82	41.68	50.33
	69	H	H13R	DNPG	1	1
	12.11	41.66	49.48
	70	H	H13S	DNPG	1	1
	12.26	41.41	51.26
	71	C	C214	DNPG	1	1
	13.73	40.58	50.06
	72	H	H14R	DNPG	1	1
	13.61	39.52	50.26
	73	H	H14S	DNPG	1	1
	14.3	40.69	50.96
	74	C	C215	DNPG	1	1
	14.29	40.97	48.73
	75	H	H15R	DNPG	1	1
	14.53	42.04	48.6
	76	C	C216	DNPG	1	1
	14.51	40.15	47.74
	77	H	H16R	DNPG	1	1
	15.12	40.5	46.9
	78	C	C217	DNPG	1	1
	14.19	38.69	47.86
	79	H	H17R	DNPG	1	1
	13.77	38.39	48.84
	80	H	H17S	DNPG	1	1
	15.06	38.05	47.69
	81	C	C218	DNPG	1	1
	13.06	38.44	46.89
	82	H	H18R	DNPG	1	1
	12.2	39.08	47.19
	83	H	H18S	DNPG	1	1
	12.75	37.38	47.03
	84	C	C219	DNPG	1	1
	13.41	38.76	45.44
	85	H	H19R	DNPG	1	1
	13.61	39.86	45.34
	86	H	H19S	DNPG	1	1
	12.52	38.54	44.83
	87	C	C220	DNPG	1	1
	14.59	38	44.82
	88	H	H20R	DNPG	1	1
	14.35	36.92	44.73
	89	H	H20S	DNPG	1	1
	15.48	38.06	45.49
	90	C	C221	DNPG	1	1
	14.88	38.56	43.41
	91	H	H21R	DNPG	1	1
	13.98	38.85	42.85
	92	H	H21S	DNPG	1	1
	15.5	37.85	42.81
	93	C	C222	DNPG	1	1
	15.73	39.79	43.56
	94	H	H22R	DNPG	1	1
	16.43	39.27	44.22
	95	H	H22S	DNPG	1	1
	15.27	40.61	44.15
	96	C	C223	DNPG	1	1
	16.47	40.34	42.35
	97	H	H23R	DNPG	1	1
	16.83	41.33	42.69
	98	H	H23S	DNPG	1	1
	15.75	40.57	41.55
	99	C	C224	DNPG	1	1
	17.65	39.58	41.74
	100	H	H24R	DNPG	1	1
	17.78	39.82	40.66
	101	H	H24S	DNPG	1	1
	18.57	39.92	42.23
	102	H	H24T	DNPG	1	1
	17.67	38.49	41.91
	103	C	C33	DNPG	1	1
	13.67	36.07	60.4
	104	H	H3X	DNPG	1	1
	13.69	37.13	60.72
	105	H	H3Y	DNPG	1	1
	12.71	35.95	59.87
	106	C	C34	DNPG	1	1
	14.7	35.86	59.32
	107	H	H4X	DNPG	1	1
	14.65	34.89	58.76
	108	H	H4Y	DNPG	1	1
	15.67	35.81	59.85
	109	C	C35	DNPG	1	1
	14.57	37.06	58.36
	110	H	H5X	DNPG	1	1
	15.55	37.53	58.17
	111	H	H5Y	DNPG	1	1
	14.14	37.92	58.9
	112	C	C36	DNPG	1	1
	13.83	36.77	57.03
	113	H	H6X	DNPG	1	1
	12.78	36.48	57.21
	114	H	H6Y	DNPG	1	1
	14.32	35.92	56.49
	115	C	C37	DNPG	1	1
	13.83	37.97	56.06
	116	H	H7X	DNPG	1	1
	14.77	38.24	55.6
	117	H	H7Y	DNPG	1	1
	13.64	38.91	56.6
	118	C	C38	DNPG	1	1
	13.13	37.74	54.73
	119	H	H8X	DNPG	1	1
	13.21	38.67	54.15
	120	H	H8Y	DNPG	1	1
	12.06	37.63	54.96
	121	C	C39	DNPG	1	1
	13.68	36.71	53.71
	122	H	H9X	DNPG	1	1
	13.34	35.69	53.96
	123	H	H9Y	DNPG	1	1
	14.75	36.55	53.67
	124	C	C310	DNPG	1	1
	13.33	37.17	52.3
	125	H	H10X	DNPG	1	1
	13.79	36.54	51.51
	126	H	H10Y	DNPG	1	1
	13.7	38.21	52.1
	127	C	C311	DNPG	1	1
	11.84	37.27	52.19
	128	H	H11X	DNPG	1	1
	11.4	37.66	53.13
	129	H	H11Y	DNPG	1	1
	11.42	36.26	52.04
	130	C	C312	DNPG	1	1
	11.42	38.29	51.19
	131	H	H12X	DNPG	1	1
	11.43	37.8	50.19
	132	H	H12Y	DNPG	1	1
	12.09	39.15	51.18
	133	C	C313	DNPG	1	1
	10.17	39.03	51.61
	134	H	H13X	DNPG	1	1
	10.34	39.68	52.49
	135	H	H13Y	DNPG	1	1
	9.48	38.27	52
	136	C	C314	DNPG	1	1
	9.7	39.92	50.45
	137	H	H14X	DNPG	1	1
	10.38	40.77	50.27
	138	H	H14Y	DNPG	1	1
	8.73	40.36	50.72
	139	C	C315	DNPG	1	1
	9.56	39.07	49.24
	140	H	H15X	DNPG	1	1
	9.57	38	49.47
	141	C	C316	DNPG	1	1
	9.54	39.36	47.97
	142	H	H16X	DNPG	1	1
	9.04	38.63	47.29
	143	C	C317	DNPG	1	1
	9.82	40.77	47.54
	144	H	H17X	DNPG	1	1
	10.61	40.51	46.84
	145	H	H17Y	DNPG	1	1
	10.24	41.36	48.36
	146	C	C318	DNPG	1	1
	8.77	41.67	46.84
	147	H	H18X	DNPG	1	1
	7.83	42.1	47.17
	148	H	H18Y	DNPG	1	1
	8.47	40.81	46.36
	149	C	C319	DNPG	1	1
	9.04	42.79	45.86
	150	H	H19X	DNPG	1	1
	9.13	43.56	46.5
	151	H	H19Y	DNPG	1	1
	8.18	42.95	45.15
	152	C	C320	DNPG	1	1
	10.3	42.75	45.18
	153	H	H20X	DNPG	1	1
	11.06	42.39	45.98
	154	H	H20Y	DNPG	1	1
	10.72	43.6	44.67
	155	C	C321	DNPG	1	1
	9.62	41.74	44.29
	156	H	H21X	DNPG	1	1
	9.64	40.85	44.94
	157	H	H21Y	DNPG	1	1
	10.67	41.41	44.5
	158	C	C322	DNPG	1	1
	8.93	41.59	42.53
	159	H	H22X	DNPG	1	1
	8.94	42.65	42.39
	160	H	H22Y	DNPG	1	1
	7.87	41.51	42.38
	161	C	C323	DNPG	1	1
	9.34	40.38	41.05
	162	H	H23X	DNPG	1	1
	10.25	40.67	40.57
	163	H	H23Y	DNPG	1	1
	8.72	40.56	40.19
	164	C	C324	DNPG	1	1
	10.11	38.79	40.84
	165	H	H24X	DNPG	1	1
	10.53	38.28	39.99
	166	H	H24Y	DNPG	1	1
	11.06	38.72	41.45
	167	H	H24Z	DNPG	1	1
	9.55	37.97	41.33

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

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

