# --------------------------------------------------------------------------
#
# 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 DNPC.gro
#
#---------------------------------------------------------------------------

data_DNPC

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

_entry.id	DNPC

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

_chemical.entry_id	DNPC
_chemical.name_common	'DNPC'

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

_chemical_formula.entry_id	DNPC
_chemical_formula.structural	'C56H109NO8P'

###############
## 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	DNPC	1	1
	29.52	27.49	63.91
	2	C	C13	DNPC	1	1
	28.78	28.77	63.74
	3	H	H13A	DNPC	1	1
	29.42	29.55	63.31
	4	H	H13B	DNPC	1	1
	27.9	28.65	63.13
	5	H	H13C	DNPC	1	1
	28.46	29.14	64.7
	6	C	C14	DNPC	1	1
	29.91	26.91	62.58
	7	H	H14A	DNPC	1	1
	30.58	27.55	62.03
	8	H	H14B	DNPC	1	1
	30.47	25.98	62.77
	9	H	H14C	DNPC	1	1
	29.05	26.65	61.98
	10	C	C15	DNPC	1	1
	28.64	26.48	64.61
	11	H	H15A	DNPC	1	1
	29.19	25.54	64.79
	12	H	H15B	DNPC	1	1
	28.34	26.81	65.59
	13	H	H15C	DNPC	1	1
	27.77	26.21	64.03
	14	C	C12	DNPC	1	1
	30.79	27.74	64.69
	15	H	H12A	DNPC	1	1
	30.6	28.41	65.52
	16	H	H12B	DNPC	1	1
	31.46	28.29	64.04
	17	C	C11	DNPC	1	1
	31.58	26.52	65.25
	18	H	H11A	DNPC	1	1
	31.21	26.31	66.28
	19	H	H11B	DNPC	1	1
	32.66	26.78	65.29
	20	P	P	DNPC	1	1
	31.73	23.94	65.09
	21	O	O13	DNPC	1	1
	33	23.86	65.81
	22	O	O14	DNPC	1	1
	30.49	23.55	65.78
	23	O	O12	DNPC	1	1
	31.51	25.37	64.43
	24	O	O11	DNPC	1	1
	31.87	23.15	63.76
	25	C	C1	DNPC	1	1
	32.24	21.79	63.91
	26	H	HA	DNPC	1	1
	31.49	21.14	64.42
	27	H	HB	DNPC	1	1
	33.2	21.69	64.5
	28	C	C2	DNPC	1	1
	32.55	21.18	62.55
	29	H	HS	DNPC	1	1
	33.15	20.41	62.92
	30	O	O21	DNPC	1	1
	33.26	21.99	61.65
	31	C	C21	DNPC	1	1
	34.23	22.67	62.08
	32	O	O22	DNPC	1	1
	34.99	22.37	63
	33	C	C22	DNPC	1	1
	34.3	23.87	61.16
	34	H	H2R	DNPC	1	1
	33.77	23.71	60.21
	35	H	H2S	DNPC	1	1
	35.34	23.95	60.89
	36	C	C3	DNPC	1	1
	31.37	20.69	61.72
	37	H	HX	DNPC	1	1
	30.83	19.92	62.3
	38	H	HY	DNPC	1	1
	31.72	20.2	60.77
	39	O	O31	DNPC	1	1
	30.55	21.83	61.51
	40	C	C31	DNPC	1	1
	30.88	22.58	60.49
	41	O	O32	DNPC	1	1
	31.64	22.28	59.59
	42	C	C32	DNPC	1	1
	30.12	23.91	60.58
	43	H	H2X	DNPC	1	1
	30.43	24.41	61.51
	44	H	H2Y	DNPC	1	1
	29.05	23.67	60.76
	45	C	C23	DNPC	1	1
	34.01	25.23	61.81
	46	H	H3R	DNPC	1	1
	34.5	25.36	62.79
	47	H	H3S	DNPC	1	1
	32.95	25.36	62.05
	48	C	C24	DNPC	1	1
	34.61	26.31	60.96
	49	H	H4R	DNPC	1	1
	35.5	25.91	60.39
	50	H	H4S	DNPC	1	1
	34.85	27.19	61.6
	51	C	C25	DNPC	1	1
	33.87	26.83	59.82
	52	H	H5R	DNPC	1	1
	33.77	26.02	59.06
	53	H	H5S	DNPC	1	1
	34.56	27.66	59.53
	54	C	C26	DNPC	1	1
	32.64	27.59	60.1
	55	H	H6R	DNPC	1	1
	32.92	28.42	60.79
	56	H	H6S	DNPC	1	1
	31.96	26.88	60.59
	57	C	C27	DNPC	1	1
	32.15	28.08	58.75
	58	H	H7R	DNPC	1	1
	31.84	27.2	58.14
	59	H	H7S	DNPC	1	1
	32.96	28.61	58.22
	60	C	C28	DNPC	1	1
	31.05	29.11	58.86
	61	H	H8R	DNPC	1	1
	31.48	30.01	59.35
	62	H	H8S	DNPC	1	1
	30.28	28.65	59.51
	63	C	C29	DNPC	1	1
	30.41	29.49	57.52
	64	H	H9R	DNPC	1	1
	29.51	30.07	57.79
	65	H	H9S	DNPC	1	1
	30.05	28.58	56.99
	66	C	C210	DNPC	1	1
	31.23	30.35	56.53
	67	H	H10R	DNPC	1	1
	31.62	31.27	57.01
	68	H	H10S	DNPC	1	1
	30.54	30.67	55.72
	69	C	C211	DNPC	1	1
	32.4	29.62	55.84
	70	H	H11R	DNPC	1	1
	32.16	28.54	55.76
	71	H	H11S	DNPC	1	1
	33.3	29.74	56.48
	72	C	C212	DNPC	1	1
	32.79	30.24	54.49
	73	H	H12R	DNPC	1	1
	32.71	31.32	54.59
	74	H	H12S	DNPC	1	1
	32.11	29.92	53.67
	75	C	C213	DNPC	1	1
	34.24	29.94	54.08
	76	H	H13R	DNPC	1	1
	34.98	30.41	54.75
	77	H	H13S	DNPC	1	1
	34.45	30.3	53.05
	78	C	C214	DNPC	1	1
	34.45	28.45	54.14
	79	H	H14R	DNPC	1	1
	34.27	28.13	55.16
	80	H	H14S	DNPC	1	1
	35.49	28.2	53.82
	81	C	C215	DNPC	1	1
	33.44	27.8	53.31
	82	H	H15R	DNPC	1	1
	32.67	27.16	53.79
	83	C	C216	DNPC	1	1
	33.66	27.78	52.02
	84	H	H16R	DNPC	1	1
	33.02	27.02	51.54
	85	C	C217	DNPC	1	1
	34.97	28.39	51.4
	86	H	H17R	DNPC	1	1
	35.87	27.73	51.37
	87	H	H17S	DNPC	1	1
	35.59	29.08	51.97
	88	C	C218	DNPC	1	1
	35.11	28.39	49.93
	89	H	H18R	DNPC	1	1
	34.44	29.14	49.47
	90	H	H18S	DNPC	1	1
	34.58	27.44	49.77
	91	C	C219	DNPC	1	1
	36.6	28.34	49.38
	92	H	H19R	DNPC	1	1
	37.07	27.34	49.26
	93	H	H19S	DNPC	1	1
	37.26	29	49.94
	94	C	C220	DNPC	1	1
	36.68	28.91	47.99
	95	H	H20R	DNPC	1	1
	36	29.77	47.89
	96	H	H20S	DNPC	1	1
	36.09	28.14	47.76
	97	C	C221	DNPC	1	1
	37.69	28.34	46.93
	98	H	H21R	DNPC	1	1
	37.97	27.27	46.99
	99	H	H21S	DNPC	1	1
	38.38	28.8	47.57
	100	C	C222	DNPC	1	1
	37.75	28.77	45.43
	101	H	H22R	DNPC	1	1
	38.73	28.94	45.01
	102	H	H22S	DNPC	1	1
	37.27	29.74	45.19
	103	C	C223	DNPC	1	1
	37.4	27.75	44.41
	104	H	H23R	DNPC	1	1
	36.54	27.16	44.64
	105	H	H23S	DNPC	1	1
	38.15	26.99	44.5
	106	C	C224	DNPC	1	1
	37.17	28.34	43.04
	107	H	H24R	DNPC	1	1
	37.9	28.95	42.51
	108	H	H24S	DNPC	1	1
	36.64	27.57	42.46
	109	H	H24T	DNPC	1	1
	36.42	29.06	42.98
	110	C	C33	DNPC	1	1
	30.35	24.7	59.25
	111	H	H3X	DNPC	1	1
	30.95	24.1	58.52
	112	H	H3Y	DNPC	1	1
	30.94	25.58	59.49
	113	C	C34	DNPC	1	1
	29.12	25.12	58.42
	114	H	H4X	DNPC	1	1
	28.42	25.78	58.95
	115	H	H4Y	DNPC	1	1
	28.49	24.26	58.18
	116	C	C35	DNPC	1	1
	29.49	25.51	56.98
	117	H	H5X	DNPC	1	1
	30.34	24.89	56.61
	118	H	H5Y	DNPC	1	1
	29.84	26.56	56.91
	119	C	C36	DNPC	1	1
	28.31	25.2	56.05
	120	H	H6X	DNPC	1	1
	27.43	25.79	56.41
	121	H	H6Y	DNPC	1	1
	28.06	24.12	56.07
	122	C	C37	DNPC	1	1
	28.65	25.47	54.61
	123	H	H7X	DNPC	1	1
	28.29	24.77	53.82
	124	H	H7Y	DNPC	1	1
	29.71	25.78	54.46
	125	C	C38	DNPC	1	1
	27.91	26.62	54.17
	126	H	H8X	DNPC	1	1
	28.18	27.29	55.01
	127	H	H8Y	DNPC	1	1
	26.79	26.65	54.35
	128	C	C39	DNPC	1	1
	28.42	26.8	52.65
	129	H	H9X	DNPC	1	1
	27.56	27.48	52.66
	130	H	H9Y	DNPC	1	1
	27.91	26.22	51.87
	131	C	C310	DNPC	1	1
	30.04	27.16	52.21
	132	H	H10X	DNPC	1	1
	30.7	26.32	52.33
	133	H	H10Y	DNPC	1	1
	30.59	27.89	52.84
	134	C	C311	DNPC	1	1
	30.6	27.95	50.94
	135	H	H11X	DNPC	1	1
	31.63	28.29	50.71
	136	H	H11Y	DNPC	1	1
	30.47	29.04	51.16
	137	C	C312	DNPC	1	1
	29.96	27.38	49.66
	138	H	H12X	DNPC	1	1
	30.06	28.22	48.96
	139	H	H12Y	DNPC	1	1
	28.88	27.11	49.64
	140	C	C313	DNPC	1	1
	30.17	26.02	49.27
	141	H	H13X	DNPC	1	1
	29.35	25.6	48.62
	142	H	H13Y	DNPC	1	1
	30.18	25.52	50.27
	143	C	C314	DNPC	1	1
	31.37	26.38	48.51
	144	H	H14X	DNPC	1	1
	31.79	25.38	48.41
	145	H	H14Y	DNPC	1	1
	32.06	26.98	49.17
	146	C	C315	DNPC	1	1
	31.09	27.18	47.23
	147	H	H15X	DNPC	1	1
	30.86	28.27	47.27
	148	C	C316	DNPC	1	1
	31.25	26.67	46.04
	149	H	H16X	DNPC	1	1
	31.25	27.41	45.25
	150	C	C317	DNPC	1	1
	31.71	25.26	45.76
	151	H	H17X	DNPC	1	1
	31.15	24.91	44.9
	152	H	H17Y	DNPC	1	1
	31.63	24.58	46.64
	153	C	C318	DNPC	1	1
	33.15	25.15	45.38
	154	H	H18X	DNPC	1	1
	33.65	25.06	46.32
	155	H	H18Y	DNPC	1	1
	33.43	26.09	44.94
	156	C	C319	DNPC	1	1
	33.83	23.98	44.72
	157	H	H19X	DNPC	1	1
	33.11	23.17	44.87
	158	H	H19Y	DNPC	1	1
	34.81	23.79	45.23
	159	C	C320	DNPC	1	1
	34.26	24.19	43.29
	160	H	H20X	DNPC	1	1
	34.47	23.24	42.78
	161	H	H20Y	DNPC	1	1
	35.16	24.85	43.22
	162	C	C321	DNPC	1	1
	33.21	24.92	42.55
	163	H	H21X	DNPC	1	1
	33.67	25.37	41.66
	164	H	H21Y	DNPC	1	1
	32.94	25.71	43.19
	165	C	C322	DNPC	1	1
	31.84	24.35	42.28
	166	H	H22X	DNPC	1	1
	31.43	23.86	43.18
	167	H	H22Y	DNPC	1	1
	31.97	23.64	41.46
	168	C	C323	DNPC	1	1
	30.72	25.25	41.83
	169	H	H23X	DNPC	1	1
	30.77	25.98	40.97
	170	H	H23Y	DNPC	1	1
	30.31	25.98	42.55
	171	C	C324	DNPC	1	1
	29.79	24.22	41.39
	172	H	H24X	DNPC	1	1
	30.01	23.71	40.41
	173	H	H24Y	DNPC	1	1
	29.34	23.56	42.13
	174	H	H24Z	DNPC	1	1
	29.05	24.98	41.31

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

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

