# --------------------------------------------------------------------------
#
# 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 CER160.gro
#
#---------------------------------------------------------------------------

data_CER160

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

_entry.id	CER160

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

_chemical.entry_id	CER160
_chemical.name_common	'CER160'

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

_chemical_formula.entry_id	CER160
_chemical_formula.structural	'C34H67NO3'

###############
## 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	O	O1	CER160	1	1
	7.98	42.14	60.07
	2	H	HO1	CER160	1	1
	8.42	41.68	59.36
	3	C	C1S	CER160	1	1
	6.79	42.71	59.49
	4	H	H1S	CER160	1	1
	6.78	43.8	59.65
	5	H	H1T	CER160	1	1
	5.91	42.39	60.07
	6	N	NF	CER160	1	1
	6.22	43.36	57.09
	7	H	HNF	CER160	1	1
	5.41	43.13	56.57
	8	C	C2S	CER160	1	1
	6.68	42.32	57.97
	9	H	H2S	CER160	1	1
	7.68	42.07	57.58
	10	C	C3S	CER160	1	1
	5.77	41.09	57.83
	11	H	H3S	CER160	1	1
	4.75	41.27	58.22
	12	O	O3	CER160	1	1
	6.3	39.98	58.53
	13	H	HO3	CER160	1	1
	7.05	40.31	59.03
	14	C	C4S	CER160	1	1
	5.65	40.69	56.38
	15	H	H4S	CER160	1	1
	6.55	40.19	55.97
	16	C	C5S	CER160	1	1
	4.57	40.89	55.6
	17	H	H5S	CER160	1	1
	3.65	41.36	56.01
	18	C	C6S	CER160	1	1
	4.45	40.47	54.15
	19	H	H6S	CER160	1	1
	4.3	39.38	54.17
	20	H	H6T	CER160	1	1
	3.55	40.94	53.69
	21	C	C7S	CER160	1	1
	5.66	40.78	53.24
	22	H	H7S	CER160	1	1
	5.6	41.86	53.01
	23	H	H7T	CER160	1	1
	6.6	40.56	53.79
	24	C	C8S	CER160	1	1
	5.72	40.03	51.89
	25	H	H8S	CER160	1	1
	6.33	40.65	51.2
	26	H	H8T	CER160	1	1
	6.15	39.01	52.01
	27	C	C9S	CER160	1	1
	4.38	39.86	51.18
	28	H	H9S	CER160	1	1
	3.88	39.06	51.71
	29	H	H9T	CER160	1	1
	3.83	40.81	51.29
	30	C	C10S	CER160	1	1
	4.41	39.5	49.7
	31	H	H10S	CER160	1	1
	3.38	39.59	49.28
	32	H	H10T	CER160	1	1
	5.09	40.24	49.22
	33	C	C11S	CER160	1	1
	4.98	38.13	49.34
	34	H	H11S	CER160	1	1
	5.91	38.01	49.93
	35	H	H11T	CER160	1	1
	4.29	37.29	49.57
	36	C	C12S	CER160	1	1
	5.35	38	47.87
	37	H	H12S	CER160	1	1
	6.35	38.45	47.74
	38	H	H12T	CER160	1	1
	5.43	36.92	47.64
	39	C	C13S	CER160	1	1
	4.32	38.58	46.89
	40	H	H13S	CER160	1	1
	3.45	37.88	46.94
	41	H	H13T	CER160	1	1
	3.95	39.59	47.15
	42	C	C14S	CER160	1	1
	4.85	38.63	45.45
	43	H	H14S	CER160	1	1
	5.28	37.63	45.23
	44	H	H14T	CER160	1	1
	3.99	38.81	44.78
	45	C	C15S	CER160	1	1
	5.84	39.78	45.15
	46	H	H15S	CER160	1	1
	5.32	40.76	45.26
	47	H	H15T	CER160	1	1
	6.68	39.79	45.88
	48	C	C16S	CER160	1	1
	6.44	39.67	43.73
	49	H	H16S	CER160	1	1
	7.51	39.92	43.86
	50	H	H16T	CER160	1	1
	6.39	38.62	43.37
	51	C	C17S	CER160	1	1
	5.76	40.54	42.64
	52	H	H17S	CER160	1	1
	4.78	40.05	42.42
	53	H	H17T	CER160	1	1
	5.54	41.55	43.05
	54	C	C18S	CER160	1	1
	6.58	40.77	41.35
	55	H	H18S	CER160	1	1
	7.59	41.16	41.59
	56	H	H18T	CER160	1	1
	6.72	39.84	40.77
	57	H	H18U	CER160	1	1
	6.12	41.55	40.7
	58	C	C1F	CER160	1	1
	6.94	44.44	56.83
	59	O	OF	CER160	1	1
	8.07	44.55	57.29
	60	C	C2F	CER160	1	1
	6.34	45.41	55.87
	61	H	H2F	CER160	1	1
	6.76	46.36	56.1
	62	H	H2G	CER160	1	1
	5.26	45.57	56.04
	63	C	C3F	CER160	1	1
	6.64	45.03	54.41
	64	H	H3F	CER160	1	1
	6.17	45.75	53.71
	65	H	H3G	CER160	1	1
	6.12	44.07	54.23
	66	C	C4F	CER160	1	1
	8.13	44.93	54.05
	67	H	H4F	CER160	1	1
	8.69	44.15	54.61
	68	H	H4G	CER160	1	1
	8.63	45.89	54.33
	69	C	C5F	CER160	1	1
	8.27	44.71	52.53
	70	H	H5F	CER160	1	1
	9.35	44.78	52.3
	71	H	H5G	CER160	1	1
	7.74	45.55	52.03
	72	C	C6F	CER160	1	1
	7.7	43.36	52
	73	H	H6F	CER160	1	1
	6.61	43.44	51.8
	74	H	H6G	CER160	1	1
	7.81	42.63	52.84
	75	C	C7F	CER160	1	1
	8.43	42.76	50.76
	76	H	H7F	CER160	1	1
	8.73	41.71	50.96
	77	H	H7G	CER160	1	1
	9.35	43.38	50.65
	78	C	C8F	CER160	1	1
	7.71	42.74	49.37
	79	H	H8F	CER160	1	1
	7.1	43.66	49.31
	80	H	H8G	CER160	1	1
	7.04	41.84	49.37
	81	C	C9F	CER160	1	1
	8.65	42.58	48.12
	82	H	H9F	CER160	1	1
	9.21	41.63	48.26
	83	H	H9G	CER160	1	1
	9.37	43.42	48.07
	84	C	C10F	CER160	1	1
	8.01	42.56	46.71
	85	H	H10F	CER160	1	1
	7.56	43.57	46.58
	86	H	H10G	CER160	1	1
	7.17	41.84	46.69
	87	C	C11F	CER160	1	1
	8.98	42.4	45.48
	88	H	H11F	CER160	1	1
	9.39	41.37	45.35
	89	H	H11G	CER160	1	1
	9.87	43.06	45.62
	90	C	C12F	CER160	1	1
	8.31	42.91	44.18
	91	H	H12F	CER160	1	1
	7.63	43.74	44.48
	92	H	H12G	CER160	1	1
	7.65	42.12	43.78
	93	C	C13F	CER160	1	1
	9.16	43.46	43.02
	94	H	H13F	CER160	1	1
	9.89	44.25	43.29
	95	H	H13G	CER160	1	1
	8.41	43.97	42.36
	96	C	C14F	CER160	1	1
	9.88	42.39	42.19
	97	H	H14F	CER160	1	1
	9.79	42.67	41.12
	98	H	H14G	CER160	1	1
	9.38	41.4	42.31
	99	C	C15F	CER160	1	1
	11.33	42.23	42.69
	100	H	H15F	CER160	1	1
	11.27	41.81	43.71
	101	H	H15G	CER160	1	1
	11.78	43.25	42.75
	102	C	C16F	CER160	1	1
	12.3	41.36	41.89
	103	H	H16F	CER160	1	1
	12.45	41.8	40.88
	104	H	H16G	CER160	1	1
	13.31	41.36	42.37
	105	H	H16H	CER160	1	1
	11.94	40.32	41.78

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

_cell.entry_id	CER160
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

