# --------------------------------------------------------------------------
#
# 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 CER181.gro
#
#---------------------------------------------------------------------------

data_CER181

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

_entry.id	CER181

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

_chemical.entry_id	CER181
_chemical.name_common	'CER181'

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

_chemical_formula.entry_id	CER181
_chemical_formula.structural	'C36H73NO3'

###############
## 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	CER181	1	1
	6.31	66.67	59.99
	2	H	HO1	CER181	1	1
	6.13	65.87	60.5
	3	C	C1S	CER181	1	1
	6.78	66.24	58.71
	4	H	H1S	CER181	1	1
	7.67	65.55	58.84
	5	H	H1T	CER181	1	1
	5.94	65.68	58.21
	6	N	NF	CER181	1	1
	7.31	66.8	56.45
	7	H	HNF	CER181	1	1
	8.23	66.63	56.11
	8	C	C2S	CER181	1	1
	7.31	67.28	57.81
	9	H	H2S	CER181	1	1
	6.62	68.13	57.91
	10	C	C3S	CER181	1	1
	8.72	67.61	58.32
	11	H	H3S	CER181	1	1
	9.4	66.74	58.26
	12	O	O3	CER181	1	1
	8.79	68.07	59.66
	13	H	HO3	CER181	1	1
	7.94	67.82	60.07
	14	C	C4S	CER181	1	1
	9.19	68.67	57.41
	15	H	H4S	CER181	1	1
	8.64	69.6	57.56
	16	C	C5S	CER181	1	1
	10.2	68.58	56.52
	17	H	H5S	CER181	1	1
	10.85	67.7	56.49
	18	C	C6S	CER181	1	1
	10.63	69.69	55.61
	19	H	H6S	CER181	1	1
	11.66	70.03	55.9
	20	H	H6T	CER181	1	1
	9.9	70.5	55.67
	21	C	C7S	CER181	1	1
	10.72	69.35	54.12
	22	H	H7S	CER181	1	1
	11.54	68.68	54.11
	23	H	H7T	CER181	1	1
	11.09	70.21	53.53
	24	C	C8S	CER181	1	1
	9.42	68.8	53.54
	25	H	H8S	CER181	1	1
	8.71	69.63	53.68
	26	H	H8T	CER181	1	1
	9.04	67.95	54.15
	27	C	C9S	CER181	1	1
	9.43	68.41	52.06
	28	H	H9S	CER181	1	1
	9.01	67.39	51.95
	29	H	H9T	CER181	1	1
	10.43	68.34	51.61
	30	C	C10S	CER181	1	1
	8.62	69.39	51.21
	31	H	H10S	CER181	1	1
	9.04	70.42	51.26
	32	H	H10T	CER181	1	1
	7.57	69.44	51.56
	33	C	C11S	CER181	1	1
	8.66	68.92	49.78
	34	H	H11S	CER181	1	1
	8.48	67.83	49.68
	35	H	H11T	CER181	1	1
	9.66	69.15	49.34
	36	C	C12S	CER181	1	1
	7.67	69.55	48.89
	37	H	H12S	CER181	1	1
	7.7	70.67	49.04
	38	H	H12T	CER181	1	1
	6.62	69.24	49.08
	39	C	C13S	CER181	1	1
	8.15	69.07	47.51
	40	H	H13S	CER181	1	1
	7.94	68.02	47.22
	41	H	H13T	CER181	1	1
	9.11	69.53	47.2
	42	C	C14S	CER181	1	1
	7.35	69.63	46.52
	43	H	H14S	CER181	1	1
	7.33	70.56	47.14
	44	H	H14T	CER181	1	1
	6.27	69.34	46.75
	45	C	C15S	CER181	1	1
	7.88	69.82	44.97
	46	H	H15S	CER181	1	1
	8.67	70.51	44.64
	47	H	H15T	CER181	1	1
	7.57	70.8	44.45
	48	C	C16S	CER181	1	1
	7.39	68.58	44.16
	49	H	H16S	CER181	1	1
	6.31	68.25	44.19
	50	H	H16T	CER181	1	1
	7.84	67.73	44.54
	51	C	C17S	CER181	1	1
	7.63	68.7	42.79
	52	H	H17S	CER181	1	1
	7.23	67.8	42.16
	53	H	H17T	CER181	1	1
	8.57	69.19	42.44
	54	C	C18S	CER181	1	1
	6.73	69.76	42.86
	55	H	H18S	CER181	1	1
	6.93	69.48	41.9
	56	H	H18T	CER181	1	1
	6.5	70.85	42.68
	57	H	H18U	CER181	1	1
	5.74	69.48	43.06
	58	C	C1F	CER181	1	1
	6.25	66.47	55.72
	59	O	OF	CER181	1	1
	5.1	66.53	56.16
	60	C	C2F	CER181	1	1
	6.58	66.03	54.35
	61	H	H2F	CER181	1	1
	7.07	65.04	54.43
	62	H	H2G	CER181	1	1
	7.28	66.73	53.86
	63	C	C3F	CER181	1	1
	5.33	65.96	53.5
	64	H	H3F	CER181	1	1
	4.74	66.89	53.54
	65	H	H3G	CER181	1	1
	4.79	65.17	54.05
	66	C	C4F	CER181	1	1
	5.4	65.68	51.99
	67	H	H4F	CER181	1	1
	5.67	66.47	51.32
	68	H	H4G	CER181	1	1
	4.41	65.31	51.61
	69	C	C5F	CER181	1	1
	6.47	64.78	51.56
	70	H	H5F	CER181	1	1
	6.1	64.4	50.6
	71	H	H5G	CER181	1	1
	6.18	64.23	52.44
	72	C	C6F	CER181	1	1
	8	64.86	51.73
	73	H	H6F	CER181	1	1
	8.3	64.73	52.79
	74	H	H6G	CER181	1	1
	8.12	65.86	51.41
	75	C	C7F	CER181	1	1
	8.98	64	50.91
	76	H	H7F	CER181	1	1
	8.79	63.03	51.29
	77	H	H7G	CER181	1	1
	10.03	64.09	51.18
	78	C	C8F	CER181	1	1
	8.76	63.79	49.43
	79	H	H8F	CER181	1	1
	7.77	63.53	49.28
	80	H	H8G	CER181	1	1
	9.23	62.85	49.04
	81	C	C9F	CER181	1	1
	8.43	64.95	48.6
	82	H	H9F	CER181	1	1
	7.38	65.33	48.58
	83	C	C10F	CER181	1	1
	9.37	65.5	47.88
	84	H	H10F	CER181	1	1
	9.07	66.37	47.32
	85	C	C11F	CER181	1	1
	10.8	65.08	47.79
	86	H	H11F	CER181	1	1
	11.02	64.12	48.32
	87	H	H11G	CER181	1	1
	11.45	65.85	48.27
	88	C	C12F	CER181	1	1
	11.18	64.92	46.31
	89	H	H12F	CER181	1	1
	10.39	64.32	45.82
	90	H	H12G	CER181	1	1
	12.13	64.35	46.19
	91	C	C13F	CER181	1	1
	11.31	66.25	45.54
	92	H	H13F	CER181	1	1
	12.32	66.67	45.75
	93	H	H13G	CER181	1	1
	10.54	66.97	45.89
	94	C	C14F	CER181	1	1
	11.2	66.1	44.02
	95	H	H14F	CER181	1	1
	10.15	65.97	43.65
	96	H	H14G	CER181	1	1
	11.74	65.18	43.68
	97	C	C15F	CER181	1	1
	11.82	67.3	43.33
	98	H	H15F	CER181	1	1
	12.89	67.43	43.61
	99	H	H15G	CER181	1	1
	11.26	68.26	43.47
	100	C	C16F	CER181	1	1
	11.72	67.08	41.89
	101	H	H16F	CER181	1	1
	11.33	68.03	41.42
	102	H	H16G	CER181	1	1
	11.22	66.11	41.65
	103	C	C17F	CER181	1	1
	13	66.95	41.15
	104	H	H17F	CER181	1	1
	13.45	66.15	41.7
	105	H	H17G	CER181	1	1
	13.26	68.01	41.38
	106	C	C18F	CER181	1	1
	13.24	66.61	39.66
	107	H	H18F	CER181	1	1
	12.86	67.36	38.91
	108	H	H18G	CER181	1	1
	12.74	65.65	39.81
	109	H	H18H	CER181	1	1
	13.99	66.23	39.02

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

_cell.entry_id	CER181
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

