# --------------------------------------------------------------------------
#
# 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 CER241.gro
#
#---------------------------------------------------------------------------

data_CER241

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

_entry.id	CER241

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

_chemical.entry_id	CER241
_chemical.name_common	'CER241'

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

_chemical_formula.entry_id	CER241
_chemical_formula.structural	'C42H87NO3'

###############
## 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	CER241	1	1
	30.38	55.94	65.38
	2	H	HO1	CER241	1	1
	30.14	56.87	65.4
	3	C	C1S	CER241	1	1
	29.41	55.33	64.55
	4	H	H1S	CER241	1	1
	29.66	54.26	64.48
	5	H	H1T	CER241	1	1
	28.45	55.44	65.08
	6	N	NF	CER241	1	1
	28.27	55.61	62.28
	7	H	HNF	CER241	1	1
	28.47	55.14	61.44
	8	C	C2S	CER241	1	1
	29.38	55.98	63.13
	9	H	H2S	CER241	1	1
	29.34	57.06	63.33
	10	C	C3S	CER241	1	1
	30.66	55.59	62.43
	11	H	H3S	CER241	1	1
	30.66	54.48	62.4
	12	O	O3	CER241	1	1
	31.83	56.05	63.09
	13	H	HO3	CER241	1	1
	31.55	56.13	64.02
	14	C	C4S	CER241	1	1
	30.68	56.12	61.01
	15	H	H4S	CER241	1	1
	30.64	57.21	60.87
	16	C	C5S	CER241	1	1
	30.75	55.31	59.95
	17	H	H5S	CER241	1	1
	30.81	54.22	60.08
	18	C	C6S	CER241	1	1
	30.79	55.75	58.53
	19	H	H6S	CER241	1	1
	31.76	56.27	58.38
	20	H	H6T	CER241	1	1
	29.94	56.42	58.23
	21	C	C7S	CER241	1	1
	30.92	54.57	57.58
	22	H	H7S	CER241	1	1
	30.07	53.9	57.79
	23	H	H7T	CER241	1	1
	31.81	53.93	57.68
	24	C	C8S	CER241	1	1
	31.13	55.19	56.19
	25	H	H8S	CER241	1	1
	31.96	55.88	56.23
	26	H	H8T	CER241	1	1
	30.28	55.9	56.08
	27	C	C9S	CER241	1	1
	31.59	54.21	55.02
	28	H	H9S	CER241	1	1
	30.81	53.58	55.05
	29	H	H9T	CER241	1	1
	32.19	53.35	55.27
	30	C	C10S	CER241	1	1
	31.53	54.6	53.5
	31	H	H10S	CER241	1	1
	32.19	55.42	53.46
	32	H	H10T	CER241	1	1
	30.85	55.38	53.26
	33	C	C11S	CER241	1	1
	31.22	53.61	52.32
	34	H	H11S	CER241	1	1
	30.23	53.08	52.28
	35	H	H11T	CER241	1	1
	31.95	52.8	52.39
	36	C	C12S	CER241	1	1
	31.06	54.33	50.97
	37	H	H12S	CER241	1	1
	31.95	54.95	50.85
	38	H	H12T	CER241	1	1
	30.23	55.06	50.87
	39	C	C13S	CER241	1	1
	30.8	53.35	49.88
	40	H	H13S	CER241	1	1
	29.89	52.72	49.95
	41	H	H13T	CER241	1	1
	31.67	52.65	49.85
	42	C	C14S	CER241	1	1
	30.76	54.15	48.62
	43	H	H14S	CER241	1	1
	31.45	55	48.57
	44	H	H14T	CER241	1	1
	29.74	54.41	48.21
	45	C	C15S	CER241	1	1
	31.4	53.24	47.74
	46	H	H15S	CER241	1	1
	30.63	52.49	47.93
	47	H	H15T	CER241	1	1
	32.38	52.74	47.86
	48	C	C16S	CER241	1	1
	31.08	53.8	46.51
	49	H	H16S	CER241	1	1
	31.29	54.81	46.15
	50	H	H16T	CER241	1	1
	30.02	53.5	46.32
	51	C	C17S	CER241	1	1
	31.51	52.95	45.7
	52	H	H17S	CER241	1	1
	32.06	51.95	45.93
	53	H	H17T	CER241	1	1
	32.72	53.13	45.6
	54	C	C18S	CER241	1	1
	30.14	53.31	44.45
	55	H	H18S	CER241	1	1
	29.91	53.04	43.42
	56	H	H18T	CER241	1	1
	30.23	52.83	43.32
	57	H	H18U	CER241	1	1
	30.78	53.9	44.19
	58	C	C1F	CER241	1	1
	27.06	55.83	62.6
	59	O	OF	CER241	1	1
	26.8	56.65	63.44
	60	C	C2F	CER241	1	1
	26.13	54.88	62.06
	61	H	H2F	CER241	1	1
	25.24	54.98	62.7
	62	H	H2G	CER241	1	1
	26.47	53.82	62.15
	63	C	C3F	CER241	1	1
	25.88	55.2	60.58
	64	H	H3F	CER241	1	1
	26.61	55.76	60.03
	65	H	H3G	CER241	1	1
	25.08	55.92	60.48
	66	C	C4F	CER241	1	1
	25.62	54.05	59.67
	67	H	H4F	CER241	1	1
	24.92	53.33	60.1
	68	H	H4G	CER241	1	1
	26.27	53.21	59.54
	69	C	C5F	CER241	1	1
	25.06	54.57	58.38
	70	H	H5F	CER241	1	1
	24.36	55.44	58.37
	71	H	H5G	CER241	1	1
	24.48	53.67	58.39
	72	C	C6F	CER241	1	1
	25.84	55.12	57.25
	73	H	H6F	CER241	1	1
	26.58	54.34	57.23
	74	H	H6G	CER241	1	1
	26.09	56.07	57.74
	75	C	C7F	CER241	1	1
	25.24	55.38	55.84
	76	H	H7F	CER241	1	1
	24.49	56.21	55.66
	77	H	H7G	CER241	1	1
	24.85	54.44	55.35
	78	C	C8F	CER241	1	1
	26.09	55.87	54.92
	79	H	H8F	CER241	1	1
	25.54	55.73	53.96
	80	H	H8G	CER241	1	1
	26.7	55	54.92
	81	C	C9F	CER241	1	1
	26.58	57.29	55.14
	82	H	H9F	CER241	1	1
	27.03	57.41	56.14
	83	H	H9G	CER241	1	1
	25.63	57.87	55.11
	84	C	C10F	CER241	1	1
	27.6	57.89	54.14
	85	H	H10F	CER241	1	1
	28.34	57.13	53.99
	86	H	H10G	CER241	1	1
	28.24	58.63	54.58
	87	C	C11F	CER241	1	1
	26.96	58.41	52.85
	88	H	H11F	CER241	1	1
	26.6	59.4	53.16
	89	H	H11G	CER241	1	1
	26.01	57.92	52.79
	90	C	C12F	CER241	1	1
	27.8	58.71	51.56
	91	H	H12F	CER241	1	1
	28.79	59.06	51.84
	92	H	H12G	CER241	1	1
	27.18	59.42	50.97
	93	C	C13F	CER241	1	1
	28.03	57.69	50.47
	94	H	H13F	CER241	1	1
	27	57.38	50.11
	95	H	H13G	CER241	1	1
	28.67	56.94	51.05
	96	C	C14F	CER241	1	1
	29	57.48	49.39
	97	H	H14F	CER241	1	1
	28.89	56.41	49.07
	98	H	H14G	CER241	1	1
	29.97	57.69	49.91
	99	C	C15F	CER241	1	1
	28.39	58.46	48.48
	100	H	H15F	CER241	1	1
	28.65	59.48	48.73
	101	C	C16F	CER241	1	1
	27.54	58.16	47.49
	102	H	H16F	CER241	1	1
	27.18	58.98	46.87
	103	C	C17F	CER241	1	1
	27.03	56.8	47.1
	104	H	H17F	CER241	1	1
	25.99	56.82	46.73
	105	H	H17G	CER241	1	1
	27.08	56.1	47.93
	106	C	C18F	CER241	1	1
	27.9	56.12	46.09
	107	H	H18F	CER241	1	1
	27.47	55.12	45.83
	108	H	H18G	CER241	1	1
	28.89	55.89	46.53
	109	C	C19F	CER241	1	1
	28.09	57	44.89
	110	H	H19F	CER241	1	1
	28.44	58.03	45.1
	111	H	H19G	CER241	1	1
	27.24	57.02	44.17
	112	C	C20F	CER241	1	1
	29.23	56.51	44.16
	113	H	H20F	CER241	1	1
	28.95	55.42	44.21
	114	H	H20G	CER241	1	1
	30.22	56.48	44.67
	115	C	C21F	CER241	1	1
	29.18	57.24	42.77
	116	H	H21F	CER241	1	1
	30.07	56.89	42.31
	117	H	H21G	CER241	1	1
	29.61	58.18	42.51
	118	C	C22F	CER241	1	1
	27.99	57	41.76
	119	H	H22F	CER241	1	1
	28.26	57.33	40.73
	120	H	H22G	CER241	1	1
	27.24	57.66	42.15
	121	C	C23F	CER241	1	1
	26.95	55.85	41.78
	122	H	H23F	CER241	1	1
	27.02	55.32	42.71
	123	H	H23G	CER241	1	1
	27.16	54.81	42.19
	124	C	C24F	CER241	1	1
	25.99	55.9	40.5
	125	H	H24F	CER241	1	1
	25.35	54.99	40.22
	126	H	H24G	CER241	1	1
	26.55	56.12	39.53
	127	H	H24H	CER241	1	1
	25.4	56.67	40.9

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

_cell.entry_id	CER241
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

