# --------------------------------------------------------------------------
#
# 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 23SM.gro
#
#---------------------------------------------------------------------------

data_23SM

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

_entry.id	23SM

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

_chemical.entry_id	23SM
_chemical.name_common	'23SM'

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

_chemical_formula.entry_id	23SM
_chemical_formula.structural	'C46H94N2O6P'

###############
## 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	23SM	1	1
	71.83	60.83	66.86
	2	C	C15	23SM	1	1
	72.52	59.97	67.88
	3	H	H15A	23SM	1	1
	71.83	59.24	68.25
	4	H	H15B	23SM	1	1
	72.89	60.6	68.69
	5	H	H15C	23SM	1	1
	73.36	59.47	67.4
	6	C	C14	23SM	1	1
	70.83	61.67	67.57
	7	H	H14A	23SM	1	1
	70.19	62.24	66.9
	8	H	H14B	23SM	1	1
	71.43	62.33	68.18
	9	H	H14C	23SM	1	1
	70.2	61.14	68.26
	10	C	C13	23SM	1	1
	72.77	61.84	66.3
	11	H	H13A	23SM	1	1
	73.65	61.42	65.82
	12	H	H13B	23SM	1	1
	73.15	62.51	67.09
	13	H	H13C	23SM	1	1
	72.22	62.44	65.61
	14	C	C12	23SM	1	1
	71.23	59.98	65.77
	15	H	H12A	23SM	1	1
	71.05	60.6	64.91
	16	H	H12B	23SM	1	1
	70.31	59.54	66.13
	17	C	C11	23SM	1	1
	72.04	58.81	65.19
	18	H	H11A	23SM	1	1
	71.44	58.5	64.31
	19	H	H11B	23SM	1	1
	72.09	57.98	65.94
	20	P	P	23SM	1	1
	74.3	58.11	64.2
	21	O	O13	23SM	1	1
	75.45	58.15	65.13
	22	O	O14	23SM	1	1
	73.61	56.82	64.01
	23	O	O11	23SM	1	1
	74.73	58.76	62.79
	24	O	O12	23SM	1	1
	73.31	59.23	64.75
	25	C	C1S	23SM	1	1
	73.74	59.56	62.12
	26	H	H1S	23SM	1	1
	73.76	60.6	62.51
	27	H	H1T	23SM	1	1
	72.72	59.17	62.33
	28	N	NF	23SM	1	1
	73.27	58.41	59.98
	29	H	HNF	23SM	1	1
	73.88	58.05	59.28
	30	C	C2S	23SM	1	1
	73.81	59.57	60.55
	31	H	H2S	23SM	1	1
	73.19	60.36	60.16
	32	C	C3S	23SM	1	1
	75.21	59.79	59.96
	33	H	H3S	23SM	1	1
	75.83	58.92	60.26
	34	O	O3	23SM	1	1
	75.81	60.97	60.48
	35	H	HO3	23SM	1	1
	75.11	61.42	60.92
	36	C	C4S	23SM	1	1
	75.13	59.93	58.44
	37	H	H4S	23SM	1	1
	74.42	60.65	58.03
	38	C	C5S	23SM	1	1
	75.91	59.25	57.59
	39	H	H5S	23SM	1	1
	76.69	58.61	58.04
	40	C	C6S	23SM	1	1
	75.91	59.32	56.06
	41	H	H6S	23SM	1	1
	75.72	58.3	55.67
	42	H	H6T	23SM	1	1
	76.94	59.6	55.72
	43	C	C7S	23SM	1	1
	74.97	60.29	55.27
	44	H	H7S	23SM	1	1
	75.11	61.28	55.76
	45	H	H7T	23SM	1	1
	73.93	59.92	55.39
	46	C	C8S	23SM	1	1
	75.16	60.53	53.73
	47	H	H8S	23SM	1	1
	75.98	61.25	53.53
	48	H	H8T	23SM	1	1
	74.24	61.02	53.34
	49	C	C9S	23SM	1	1
	75.43	59.28	52.88
	50	H	H9S	23SM	1	1
	74.55	58.61	52.9
	51	H	H9T	23SM	1	1
	76.27	58.73	53.38
	52	C	C10S	23SM	1	1
	75.79	59.54	51.4
	53	H	H10S	23SM	1	1
	76.54	60.36	51.3
	54	H	H10T	23SM	1	1
	74.9	59.87	50.83
	55	C	C11S	23SM	1	1
	76.33	58.28	50.7
	56	H	H11S	23SM	1	1
	75.56	57.48	50.78
	57	H	H11T	23SM	1	1
	77.22	57.93	51.25
	58	C	C12S	23SM	1	1
	76.63	58.62	49.21
	59	H	H12S	23SM	1	1
	77.56	59.22	49.24
	60	H	H12T	23SM	1	1
	75.81	59.29	48.85
	61	C	C13S	23SM	1	1
	76.84	57.43	48.25
	62	H	H13S	23SM	1	1
	75.96	56.75	48.33
	63	H	H13T	23SM	1	1
	77.76	56.9	48.6
	64	C	C14S	23SM	1	1
	77.01	57.75	46.74
	65	H	H14S	23SM	1	1
	77.29	56.81	46.21
	66	H	H14T	23SM	1	1
	77.8	58.52	46.54
	67	C	C15S	23SM	1	1
	75.7	58.18	46.09
	68	H	H15S	23SM	1	1
	75.43	59.19	46.46
	69	H	H15T	23SM	1	1
	74.94	57.46	46.44
	70	C	C16S	23SM	1	1
	75.73	58.19	44.54
	71	H	H16S	23SM	1	1
	76.51	58.92	44.25
	72	H	H16T	23SM	1	1
	74.75	58.58	44.2
	73	C	C17S	23SM	1	1
	75.95	56.81	43.86
	74	H	H17S	23SM	1	1
	75.34	56.03	44.35
	75	H	H17T	23SM	1	1
	77	56.52	44.06
	76	C	C18S	23SM	1	1
	75.73	56.77	42.33
	77	H	H18S	23SM	1	1
	74.93	56.06	41.99
	78	H	H18T	23SM	1	1
	76.66	56.46	41.81
	79	H	H18U	23SM	1	1
	75.48	57.79	41.97
	80	C	C1F	23SM	1	1
	72.04	58.01	60.24
	81	O	OF	23SM	1	1
	71.19	58.7	60.78
	82	C	C2F	23SM	1	1
	71.73	56.75	59.68
	83	H	H2F	23SM	1	1
	71.24	56.09	60.44
	84	H	H2G	23SM	1	1
	72.65	56.19	59.38
	85	C	C3F	23SM	1	1
	70.85	57.39	58.55
	86	H	H3F	23SM	1	1
	69.78	57.58	58.71
	87	H	H3G	23SM	1	1
	70.05	56.73	58.5
	88	C	C4F	23SM	1	1
	71.45	57.63	57.07
	89	H	H4F	23SM	1	1
	72.52	57.28	56.99
	90	H	H4G	23SM	1	1
	71.37	58.72	57.07
	91	C	C5F	23SM	1	1
	70.66	57.22	55.74
	92	H	H5F	23SM	1	1
	69.6	57.19	55.98
	93	H	H5G	23SM	1	1
	70.58	56.21	55.33
	94	C	C6F	23SM	1	1
	71.02	57.84	54.42
	95	H	H6F	23SM	1	1
	72.01	57.44	54.08
	96	H	H6G	23SM	1	1
	71.03	58.91	54.69
	97	C	C7F	23SM	1	1
	69.9	57.45	53.45
	98	H	H7F	23SM	1	1
	68.94	57.63	54
	99	H	H7G	23SM	1	1
	69.94	56.38	53.18
	100	C	C8F	23SM	1	1
	69.93	58.24	52.16
	101	H	H8F	23SM	1	1
	70.68	57.78	51.48
	102	H	H8G	23SM	1	1
	70.24	59.28	52.41
	103	C	C9F	23SM	1	1
	68.58	58.24	51.47
	104	H	H9F	23SM	1	1
	67.8	58.22	52.27
	105	H	H9G	23SM	1	1
	68.41	57.29	50.92
	106	C	C10F	23SM	1	1
	68.46	59.4	50.46
	107	H	H10F	23SM	1	1
	68.43	60.39	50.91
	108	H	H10G	23SM	1	1
	67.47	59.47	50.07
	109	C	C11F	23SM	1	1
	69.5	59.41	49.32
	110	H	H11F	23SM	1	1
	70.48	59.41	49.82
	111	H	H11G	23SM	1	1
	69.37	60.37	48.76
	112	C	C12F	23SM	1	1
	69.42	58.26	48.31
	113	H	H12F	23SM	1	1
	68.54	58.52	47.69
	114	H	H12G	23SM	1	1
	69.25	57.32	48.89
	115	C	C13F	23SM	1	1
	70.64	58.02	47.41
	116	H	H13F	23SM	1	1
	71.51	57.98	48.1
	117	H	H13G	23SM	1	1
	70.74	58.9	46.74
	118	C	C14F	23SM	1	1
	70.66	56.74	46.55
	119	H	H14F	23SM	1	1
	69.63	56.44	46.29
	120	H	H14G	23SM	1	1
	71.11	55.89	47.11
	121	C	C15F	23SM	1	1
	71.35	56.99	45.2
	122	H	H15F	23SM	1	1
	72.37	57.41	45.37
	123	H	H15G	23SM	1	1
	70.76	57.75	44.65
	124	C	C16F	23SM	1	1
	71.47	55.73	44.32
	125	H	H16F	23SM	1	1
	70.48	55.28	44.11
	126	H	H16G	23SM	1	1
	72.06	54.97	44.88
	127	C	C17F	23SM	1	1
	72.26	56.01	43.03
	128	H	H17F	23SM	1	1
	72.54	55.03	42.61
	129	H	H17G	23SM	1	1
	73.18	56.56	43.34
	130	C	C18F	23SM	1	1
	71.54	56.87	41.97
	131	H	H18F	23SM	1	1
	72.12	57.81	41.87
	132	H	H18G	23SM	1	1
	70.53	57.13	42.37
	133	C	C19F	23SM	1	1
	71.46	56.26	40.56
	134	H	H19F	23SM	1	1
	70.71	55.44	40.51
	135	H	H19G	23SM	1	1
	72.45	55.91	40.2
	136	C	C20F	23SM	1	1
	70.97	57.22	39.52
	137	H	H20F	23SM	1	1
	69.96	57.41	39.91
	138	H	H20G	23SM	1	1
	70.91	56.8	38.47
	139	C	C21F	23SM	1	1
	71.69	58.53	39.43
	140	H	H21F	23SM	1	1
	71.56	59.18	40.31
	141	H	H21G	23SM	1	1
	71.36	59.21	38.56
	142	C	C22F	23SM	1	1
	72.99	58.11	39.07
	143	H	H22F	23SM	1	1
	73.04	57.4	38.21
	144	H	H22G	23SM	1	1
	73.72	57.83	39.86
	145	C	C23F	23SM	1	1
	73.34	59.37	38.66
	146	H	H23F	23SM	1	1
	73.06	60.02	37.84
	147	H	H23G	23SM	1	1
	74.09	58.81	38.06
	148	H	H23H	23SM	1	1
	73.78	59.94	39.51

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

_cell.entry_id	23SM
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

