# --------------------------------------------------------------------------
#
# 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 APPC.gro
#
#---------------------------------------------------------------------------

data_APPC

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

_entry.id	APPC

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

_chemical.entry_id	APPC
_chemical.name_common	'APPC'

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

_chemical_formula.entry_id	APPC
_chemical_formula.structural	'C40H81NO8P'

###############
## 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	APPC	1	1
	22.63	20.53	59.13
	2	C	C13	APPC	1	1
	21.14	20.54	59.26
	3	H	H13A	APPC	1	1
	20.79	19.71	59.86
	4	H	H13B	APPC	1	1
	20.64	20.54	58.3
	5	H	H13C	APPC	1	1
	20.82	21.44	59.77
	6	C	C14	APPC	1	1
	23.07	21.37	60.25
	7	H	H14A	APPC	1	1
	22.55	22.34	60.19
	8	H	H14B	APPC	1	1
	24.1	21.58	60.06
	9	H	H14C	APPC	1	1
	22.9	20.92	61.22
	10	C	C15	APPC	1	1
	23.14	19.13	59.22
	11	H	H15A	APPC	1	1
	22.8	18.63	60.13
	12	H	H15B	APPC	1	1
	24.23	19.09	59.26
	13	H	H15C	APPC	1	1
	22.86	18.54	58.35
	14	C	C12	APPC	1	1
	23.15	21.18	57.86
	15	H	H12A	APPC	1	1
	22.7	20.73	56.99
	16	H	H12B	APPC	1	1
	24.22	20.97	57.78
	17	C	C11	APPC	1	1
	22.96	22.7	57.71
	18	H	H11A	APPC	1	1
	23.43	23.02	56.76
	19	H	H11B	APPC	1	1
	23.5	23.26	58.53
	20	P	P	APPC	1	1
	21.32	24.55	57.45
	21	O	O13	APPC	1	1
	21.88	25.02	56.17
	22	O	O14	APPC	1	1
	21.9	25.15	58.68
	23	O	O11	APPC	1	1
	19.77	24.73	57.51
	24	O	O12	APPC	1	1
	21.57	23	57.64
	25	C	C1	APPC	1	1
	18.84	23.84	58.12
	26	H	HA	APPC	1	1
	18.11	24.45	58.67
	27	H	HB	APPC	1	1
	19.3	23.14	58.86
	28	C	C2	APPC	1	1
	18.06	22.99	57.11
	29	H	HS	APPC	1	1
	17.59	22.13	57.65
	30	O	O21	APPC	1	1
	19.05	22.61	56.16
	31	C	C21	APPC	1	1
	19.28	21.37	56.04
	32	O	O22	APPC	1	1
	18.77	20.42	56.58
	33	C	C22	APPC	1	1
	20.3	21.16	54.98
	34	H	H2R	APPC	1	1
	21.15	20.62	55.44
	35	H	H2S	APPC	1	1
	20.61	22.1	54.49
	36	C	C3	APPC	1	1
	16.95	23.78	56.38
	37	H	HX	APPC	1	1
	16.18	24.1	57.11
	38	H	HY	APPC	1	1
	16.43	23.11	55.65
	39	O	O31	APPC	1	1
	17.51	24.95	55.78
	40	C	C31	APPC	1	1
	18.07	24.74	54.61
	41	O	O32	APPC	1	1
	17.89	23.78	53.87
	42	C	C32	APPC	1	1
	19.02	25.9	54.34
	43	H	H2X	APPC	1	1
	19.9	25.86	55.01
	44	H	H2Y	APPC	1	1
	18.44	26.82	54.56
	45	C	C23	APPC	1	1
	19.52	20.3	54.03
	46	H	H3R	APPC	1	1
	18.61	20.89	53.78
	47	H	H3S	APPC	1	1
	19.19	19.32	54.47
	48	C	C24	APPC	1	1
	20.26	20.01	52.78
	49	H	H4R	APPC	1	1
	21.24	19.75	53.2
	50	H	H4S	APPC	1	1
	20.46	20.94	52.23
	51	C	C25	APPC	1	1
	19.4	18.94	52.04
	52	H	H5R	APPC	1	1
	18.52	19.49	51.74
	53	H	H5S	APPC	1	1
	19.13	18.08	52.68
	54	C	C26	APPC	1	1
	19.6	18.49	50.63
	55	H	H6R	APPC	1	1
	18.77	18	50.08
	56	H	H6S	APPC	1	1
	20.15	17.55	50.71
	57	C	C27	APPC	1	1
	20.12	19.71	49.88
	58	H	H7R	APPC	1	1
	21.13	19.76	49.66
	59	H	H7S	APPC	1	1
	20.07	20.7	50.35
	60	C	C28	APPC	1	1
	19.67	19.65	48.5
	61	H	H8R	APPC	1	1
	18.71	19.95	48.89
	62	H	H8S	APPC	1	1
	19.64	18.62	48.09
	63	C	C29	APPC	1	1
	20.31	20.67	47.59
	64	H	H9R	APPC	1	1
	21.4	20.81	47.69
	65	H	H9S	APPC	1	1
	19.89	21.65	47.88
	66	C	C210	APPC	1	1
	19.95	20.23	46.18
	67	H	H10R	APPC	1	1
	19.02	19.71	46.24
	68	H	H10S	APPC	1	1
	20.49	19.34	45.84
	69	C	C211	APPC	1	1
	19.85	21.36	45.19
	70	H	H11R	APPC	1	1
	20.84	21.83	45.06
	71	H	H11S	APPC	1	1
	19.55	20.89	44.22
	72	C	C212	APPC	1	1
	18.82	22.42	45.64
	73	H	H12R	APPC	1	1
	17.84	21.94	45.55
	74	H	H12S	APPC	1	1
	18.84	22.63	46.7
	75	C	C213	APPC	1	1
	18.88	23.85	45.05
	76	H	H13R	APPC	1	1
	19.79	24.32	45.49
	77	C	C216	APPC	1	1
	17.67	24.63	45.64
	78	H	H16R	APPC	1	1
	16.7	24.09	45.51
	79	H	H16S	APPC	1	1
	17.78	24.7	46.74
	80	H	H16T	APPC	1	1
	17.55	25.64	45.21
	81	C	C214	APPC	1	1
	19.29	23.84	43.56
	82	H	H14R	APPC	1	1
	18.89	23.06	43.05
	83	H	H14S	APPC	1	1
	20.17	23.19	43.47
	84	C	C215	APPC	1	1
	18.8	24.68	42.37
	85	H	H15R	APPC	1	1
	17.89	24.59	41.79
	86	H	H15S	APPC	1	1
	19.35	24.14	41.55
	87	H	H15T	APPC	1	1
	19.04	25.74	42.43
	88	C	C33	APPC	1	1
	19.46	25.92	52.88
	89	H	H3X	APPC	1	1
	18.68	25.4	52.29
	90	H	H3Y	APPC	1	1
	19.63	26.99	52.62
	91	C	C34	APPC	1	1
	20.66	25.16	52.39
	92	H	H4X	APPC	1	1
	20.53	24.11	52.73
	93	H	H4Y	APPC	1	1
	21.58	25.6	52.83
	94	C	C35	APPC	1	1
	20.77	25.16	50.85
	95	H	H5X	APPC	1	1
	21.11	26.15	50.47
	96	H	H5Y	APPC	1	1
	19.82	24.91	50.34
	97	C	C36	APPC	1	1
	21.79	24.09	50.52
	98	H	H6X	APPC	1	1
	21.39	23.09	50.81
	99	H	H6Y	APPC	1	1
	22.68	24.29	51.16
	100	C	C37	APPC	1	1
	22.23	24.05	49.07
	101	H	H7X	APPC	1	1
	22.49	25.07	48.69
	102	H	H7Y	APPC	1	1
	21.42	23.63	48.43
	103	C	C38	APPC	1	1
	23.46	23.18	48.97
	104	H	H8X	APPC	1	1
	23.2	22.13	49.2
	105	H	H8Y	APPC	1	1
	24.21	23.49	49.74
	106	C	C39	APPC	1	1
	24.1	23.35	47.61
	107	H	H9X	APPC	1	1
	25.06	22.83	47.75
	108	H	H9Y	APPC	1	1
	24.41	24.4	47.46
	109	C	C310	APPC	1	1
	23.24	22.94	46.38
	110	H	H10X	APPC	1	1
	22.26	23.45	46.4
	111	H	H10Y	APPC	1	1
	22.98	21.87	46.36
	112	C	C311	APPC	1	1
	23.99	23.27	45.09
	113	H	H11X	APPC	1	1
	24.23	24.35	45.07
	114	H	H11Y	APPC	1	1
	24.92	22.7	45.16
	115	C	C312	APPC	1	1
	23.48	22.78	43.73
	116	H	H12X	APPC	1	1
	23.73	23.54	42.97
	117	H	H12Y	APPC	1	1
	22.38	22.69	43.84
	118	C	C313	APPC	1	1
	24.1	21.43	43.3
	119	H	H13X	APPC	1	1
	25.21	21.42	43.32
	120	H	H13Y	APPC	1	1
	23.79	20.88	44.15
	121	C	C314	APPC	1	1
	23.54	20.65	42.08
	122	H	H14X	APPC	1	1
	23.96	21.25	41.26
	123	H	H14Y	APPC	1	1
	24.04	19.66	41.97
	124	C	C315	APPC	1	1
	21.99	20.37	42.11
	125	H	H15X	APPC	1	1
	21.64	21.14	42.77
	126	H	H15Y	APPC	1	1
	21.53	19.7	42.83
	127	C	C316	APPC	1	1
	21.22	19.9	40.86
	128	H	H16X	APPC	1	1
	21.37	20.21	39.83
	129	H	H16Y	APPC	1	1
	20.15	19.67	40.94
	130	H	H16Z	APPC	1	1
	21.86	19.13	40.63

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

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

