# --------------------------------------------------------------------------
#
# 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 DAPC.gro
#
#---------------------------------------------------------------------------

data_DAPC

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

_entry.id	DAPC

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

_chemical.entry_id	DAPC
_chemical.name_common	'DAPC'

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

_chemical_formula.entry_id	DAPC
_chemical_formula.structural	'C48H103NO8P'

###############
## 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	DAPC	1	1
	46.05	72.47	57.64
	2	C	C12	DAPC	1	1
	46.74	71.15	57.8
	3	H	H12A	DAPC	1	1
	46.08	70.38	57.46
	4	H	H12B	DAPC	1	1
	46.84	71.03	58.86
	5	C	C13	DAPC	1	1
	44.81	72.43	58.41
	6	H	H13A	DAPC	1	1
	44.22	71.56	58.13
	7	H	H13B	DAPC	1	1
	44.24	73.34	58.28
	8	H	H13C	DAPC	1	1
	45.02	72.39	59.47
	9	C	C14	DAPC	1	1
	45.85	72.81	56.18
	10	H	H14A	DAPC	1	1
	45.36	73.76	56.01
	11	H	H14B	DAPC	1	1
	45.27	72.05	55.68
	12	H	H14C	DAPC	1	1
	46.82	72.85	55.68
	13	C	C15	DAPC	1	1
	46.91	73.47	58.3
	14	H	H15A	DAPC	1	1
	46.8	73.36	59.38
	15	H	H15B	DAPC	1	1
	46.62	74.48	58.04
	16	H	H15C	DAPC	1	1
	47.93	73.24	58.02
	17	C	C11	DAPC	1	1
	48.12	70.96	57.15
	18	H	H11A	DAPC	1	1
	48.06	71.28	56.08
	19	H	H11B	DAPC	1	1
	48.38	69.88	57.23
	20	P	P	DAPC	1	1
	50.63	71.36	57.57
	21	O	O13	DAPC	1	1
	51.28	72.15	58.61
	22	O	O14	DAPC	1	1
	50.86	69.91	57.52
	23	O	O12	DAPC	1	1
	49.11	71.68	57.85
	24	O	O11	DAPC	1	1
	50.71	71.9	56.1
	25	C	C1	DAPC	1	1
	50.2	73.05	55.49
	26	H	HA	DAPC	1	1
	50.91	73.88	55.38
	27	H	HB	DAPC	1	1
	49.34	73.49	56.02
	28	C	C2	DAPC	1	1
	49.85	72.66	54.07
	29	H	HS	DAPC	1	1
	49.04	71.95	54.01
	30	O	O21	DAPC	1	1
	50.96	72.41	53.21
	31	C	C21	DAPC	1	1
	50.78	71.5	52.25
	32	O	O22	DAPC	1	1
	49.74	71.13	51.77
	33	C	C22	DAPC	1	1
	52.08	70.98	51.78
	34	H	H2R	DAPC	1	1
	52.78	70.6	52.57
	35	H	H2S	DAPC	1	1
	52.28	71.92	51.24
	36	C	C3	DAPC	1	1
	49.2	73.72	53.51
	37	H	HX	DAPC	1	1
	50.1	74.37	53.76
	38	H	HY	DAPC	1	1
	48.42	74.35	54.01
	39	O	O31	DAPC	1	1
	49.04	73.43	52.07
	40	C	C31	DAPC	1	1
	47.8	73.36	51.75
	41	O	O32	DAPC	1	1
	46.91	73.31	52.58
	42	C	C32	DAPC	1	1
	47.59	73.45	50.24
	43	H	H2X	DAPC	1	1
	48.55	73.17	49.76
	44	H	H2Y	DAPC	1	1
	47.34	74.49	49.93
	45	C	C23	DAPC	1	1
	52.46	70	50.84
	46	H	H3R	DAPC	1	1
	51.72	69.29	51.28
	47	H	H3S	DAPC	1	1
	53.49	69.65	51
	48	C	C24	DAPC	1	1
	52.57	70.55	49.49
	49	H	H4R	DAPC	1	1
	52.64	69.58	49
	50	H	H4S	DAPC	1	1
	53.47	70.96	49.04
	51	C	C25	DAPC	1	1
	51.33	71.37	49.33
	52	H	H5R	DAPC	1	1
	50.45	70.77	49.5
	53	C	C26	DAPC	1	1
	51.02	72.61	49.03
	54	H	H6R	DAPC	1	1
	50.11	72.77	48.41
	55	C	C27	DAPC	1	1
	52.11	73.52	48.8
	56	H	H7R	DAPC	1	1
	53.05	73.05	49.02
	57	H	H7S	DAPC	1	1
	51.84	74.26	49.52
	58	C	C28	DAPC	1	1
	52.37	74.05	47.52
	59	H	H8R	DAPC	1	1
	53.35	73.88	47.02
	60	C	C29	DAPC	1	1
	51.54	74.73	46.88
	61	H	H9R	DAPC	1	1
	52.03	74.63	45.97
	62	C	C210	DAPC	1	1
	50.17	75.31	46.92
	63	H	H10R	DAPC	1	1
	50.3	76.37	46.93
	64	H	H10S	DAPC	1	1
	49.63	75.06	47.83
	65	C	C211	DAPC	1	1
	49.05	75.18	46.13
	66	H	H11R	DAPC	1	1
	49.28	74.71	45.18
	67	C	C212	DAPC	1	1
	48.01	75.99	46.35
	68	H	H12R	DAPC	1	1
	47.24	75.78	45.65
	69	C	C213	DAPC	1	1
	47.69	77.12	47.3
	70	H	H13R	DAPC	1	1
	48.04	78.17	46.85
	71	H	H13S	DAPC	1	1
	48.49	77.7	47.74
	72	C	C214	DAPC	1	1
	46.09	76.89	47.74
	73	H	H14R	DAPC	1	1
	46.31	76.46	48.71
	74	C	C215	DAPC	1	1
	44.63	77.47	47.47
	75	H	H15R	DAPC	1	1
	43.83	78.03	47.15
	76	C	C216	DAPC	1	1
	44.04	78.93	46.3
	77	H	H16R	DAPC	1	1
	44.85	79.98	46.28
	78	H	H16S	DAPC	1	1
	44.28	80.11	46.34
	79	C	C217	DAPC	1	1
	43.58	78.63	44.62
	80	H	H17R	DAPC	1	1
	42.62	78.31	44.71
	81	H	H17S	DAPC	1	1
	44.05	77.59	44.41
	82	C	C218	DAPC	1	1
	43.69	79.74	43.2
	83	H	H18R	DAPC	1	1
	44.67	80.38	42.93
	84	H	H18S	DAPC	1	1
	43.81	80.78	43.4
	85	C	C219	DAPC	1	1
	43.63	79.19	41.74
	86	H	H19R	DAPC	1	1
	43.77	80.13	41.16
	87	H	H19S	DAPC	1	1
	42.66	78.74	42
	88	C	C220	DAPC	1	1
	44.51	78.14	40.97
	89	H	H20R	DAPC	1	1
	44.07	77.96	39.99
	90	H	H20S	DAPC	1	1
	44.62	77.17	41.5
	91	H	H20T	DAPC	1	1
	45.55	78.48	40.76
	92	C	C33	DAPC	1	1
	46.51	72.42	49.94
	93	H	H3X	DAPC	1	1
	46.27	72.5	48.87
	94	H	H3Y	DAPC	1	1
	45.56	72.66	50.48
	95	C	C34	DAPC	1	1
	47.03	71.04	50.39
	96	H	H4X	DAPC	1	1
	47.37	71.04	51.44
	97	H	H4Y	DAPC	1	1
	47.93	70.76	49.81
	98	C	C35	DAPC	1	1
	46.2	69.83	50.3
	99	H	H5X	DAPC	1	1
	45.85	69.47	51.29
	100	C	C36	DAPC	1	1
	45.55	69.35	49.25
	101	H	H6X	DAPC	1	1
	44.97	68.43	49.34
	102	C	C37	DAPC	1	1
	45.34	69.75	47.86
	103	H	H7X	DAPC	1	1
	45.1	70.84	47.77
	104	H	H7Y	DAPC	1	1
	44.52	69.18	47.37
	105	C	C38	DAPC	1	1
	46.42	69.31	47.11
	106	H	H8X	DAPC	1	1
	46.82	68.28	47.08
	107	C	C39	DAPC	1	1
	46.97	70.19	46.43
	108	H	H9X	DAPC	1	1
	47.5	69.46	45.84
	109	C	C310	DAPC	1	1
	47.03	71.69	46
	110	H	H10X	DAPC	1	1
	48.04	72.16	45.95
	111	H	H10Y	DAPC	1	1
	46.6	72.37	46.76
	112	C	C311	DAPC	1	1
	46.53	71.81	44.58
	113	H	H11X	DAPC	1	1
	45.55	71.31	44.58
	114	C	C312	DAPC	1	1
	46.97	72.25	43.38
	115	H	H12X	DAPC	1	1
	46.18	72.22	42.58
	116	C	C313	DAPC	1	1
	48.29	72.86	42.89
	117	H	H13X	DAPC	1	1
	48.66	73.53	43.65
	118	H	H13Y	DAPC	1	1
	47.95	73.17	41.9
	119	C	C314	DAPC	1	1
	49.76	72.6	42.48
	120	H	H14X	DAPC	1	1
	50.46	72.15	43.19
	121	C	C315	DAPC	1	1
	49.98	72.09	41.36
	122	H	H15X	DAPC	1	1
	49.24	71.56	41.75
	123	C	C316	DAPC	1	1
	48.86	71.76	40.27
	124	H	H16X	DAPC	1	1
	47.83	72.09	40.3
	125	H	H16Y	DAPC	1	1
	48.62	70.74	39.73
	126	C	C317	DAPC	1	1
	49.45	71.97	39.26
	127	H	H17X	DAPC	1	1
	50.26	71.15	39.32
	128	H	H17Y	DAPC	1	1
	49.86	73	39.45
	129	C	C318	DAPC	1	1
	48.6	72	38.02
	130	H	H18X	DAPC	1	1
	47.92	72.85	37.85
	131	H	H18Y	DAPC	1	1
	48.46	70.96	37.57
	132	C	C319	DAPC	1	1
	49.27	72.91	37.1
	133	H	H19X	DAPC	1	1
	48.96	72.76	35.96
	134	H	H19Y	DAPC	1	1
	49.65	71.87	36.46
	135	C	C320	DAPC	1	1
	50.85	74.45	37.89
	136	H	H20X	DAPC	1	1
	51.97	74.36	37.4
	137	H	H20Y	DAPC	1	1
	51.77	74.02	38.44
	138	H	H20Z	DAPC	1	1
	50	74.83	37.63

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

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

