# --------------------------------------------------------------------------
#
# 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 PSM.gro
#
#---------------------------------------------------------------------------

data_PSM

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

_entry.id	PSM

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

_chemical.entry_id	PSM
_chemical.name_common	'PSM'

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

_chemical_formula.entry_id	PSM
_chemical_formula.structural	'C39H94N2O6P'

###############
## 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	PSM	1	1
	28.39	17.47	60.95
	2	C	C15	PSM	1	1
	28.06	18.67	60.12
	3	H	H15A	PSM	1	1
	27.52	19.42	60.7
	4	H	H15B	PSM	1	1
	28.89	19.17	59.66
	5	H	H15C	PSM	1	1
	27.38	18.37	59.32
	6	C	C14	PSM	1	1
	28.75	16.29	60.09
	7	H	H14A	PSM	1	1
	27.87	15.89	59.58
	8	H	H14B	PSM	1	1
	29.48	16.59	59.34
	9	H	H14C	PSM	1	1
	29.2	15.48	60.65
	10	C	C13	PSM	1	1
	29.54	17.72	61.86
	11	H	H13A	PSM	1	1
	29.44	18.66	62.39
	12	H	H13B	PSM	1	1
	29.54	16.95	62.63
	13	H	H13C	PSM	1	1
	30.46	17.73	61.28
	14	C	C12	PSM	1	1
	27.24	17.13	61.86
	15	H	H12A	PSM	1	1
	27.54	16.27	62.45
	16	H	H12B	PSM	1	1
	27.1	17.97	62.53
	17	C	C11	PSM	1	1
	25.87	16.86	61.24
	18	H	H11A	PSM	1	1
	25.99	15.96	60.6
	19	H	H11B	PSM	1	1
	25.18	16.67	62.1
	20	P	P	PSM	1	1
	23.95	18.15	59.91
	21	O	O13	PSM	1	1
	22.97	17.87	60.99
	22	O	O14	PSM	1	1
	23.88	19.51	59.33
	23	O	O11	PSM	1	1
	23.93	17.02	58.8
	24	O	O12	PSM	1	1
	25.42	17.99	60.48
	25	C	C1S	PSM	1	1
	25.07	16.84	57.96
	26	H	H1S	PSM	1	1
	25.68	17.76	57.85
	27	H	H1T	PSM	1	1
	25.68	16.03	58.41
	28	N	NF	PSM	1	1
	25.77	16.29	55.66
	29	H	HNF	PSM	1	1
	25.76	16.73	54.78
	30	C	C2S	PSM	1	1
	24.62	16.47	56.53
	31	H	H2S	PSM	1	1
	24.05	15.51	56.59
	32	C	C3S	PSM	1	1
	23.68	17.56	55.97
	33	H	H3S	PSM	1	1
	24.24	18.52	55.94
	34	O	O3	PSM	1	1
	22.49	17.72	56.7
	35	H	HO3	PSM	1	1
	22.68	17.2	57.5
	36	C	C4S	PSM	1	1
	23.31	17.25	54.55
	37	H	H4S	PSM	1	1
	23.73	17.98	53.85
	38	C	C5S	PSM	1	1
	22.51	16.27	54.1
	39	H	H5S	PSM	1	1
	22.04	15.54	54.79
	40	C	C6S	PSM	1	1
	22.25	16.1	52.64
	41	H	H6S	PSM	1	1
	21.22	15.93	52.45
	42	H	H6T	PSM	1	1
	22.45	17.04	52.08
	43	C	C7S	PSM	1	1
	23.03	14.92	52.06
	44	H	H7S	PSM	1	1
	24.08	15.19	52.22
	45	H	H7T	PSM	1	1
	22.82	13.95	52.58
	46	C	C8S	PSM	1	1
	22.84	14.79	50.56
	47	H	H8S	PSM	1	1
	23.21	13.85	50.11
	48	H	H8T	PSM	1	1
	21.81	14.78	50.34
	49	C	C9S	PSM	1	1
	23.17	16.04	49.77
	50	H	H9S	PSM	1	1
	22.35	16.79	49.91
	51	H	H9T	PSM	1	1
	24.09	16.5	50.18
	52	C	C10S	PSM	1	1
	23.31	15.64	48.32
	53	H	H10S	PSM	1	1
	24.01	14.79	48.19
	54	H	H10T	PSM	1	1
	22.35	15.23	47.94
	55	C	C11S	PSM	1	1
	23.7	16.8	47.45
	56	H	H11S	PSM	1	1
	22.79	17.41	47.28
	57	H	H11T	PSM	1	1
	24.44	17.47	47.94
	58	C	C12S	PSM	1	1
	24.33	16.28	46.17
	59	H	H12S	PSM	1	1
	25.3	15.8	46.4
	60	H	H12T	PSM	1	1
	23.67	15.57	45.63
	61	C	C13S	PSM	1	1
	24.61	17.41	45.24
	62	H	H13S	PSM	1	1
	25.23	18.18	45.76
	63	H	H13T	PSM	1	1
	25.15	16.99	44.38
	64	C	C14S	PSM	1	1
	23.33	17.96	44.73
	65	H	H14S	PSM	1	1
	22.68	17.22	44.23
	66	H	H14T	PSM	1	1
	22.7	18.57	45.44
	67	C	C15S	PSM	1	1
	23.7	18.77	43.59
	68	H	H15S	PSM	1	1
	22.74	19.35	43.73
	69	H	H15T	PSM	1	1
	24.46	19.6	43.83
	70	C	C16S	PSM	1	1
	23.92	17.89	42.1
	71	H	H16S	PSM	1	1
	24.69	18.46	42.52
	72	H	H16T	PSM	1	1
	22.94	17.48	42.28
	73	C	C17S	PSM	1	1
	24.22	18.48	40.63
	74	H	H17S	PSM	1	1
	24.05	18.13	39.62
	75	H	H17T	PSM	1	1
	23.43	19.03	39.97
	76	C	C18S	PSM	1	1
	25.42	19.32	40.94
	77	H	H18S	PSM	1	1
	24.82	20.19	40.85
	78	H	H18T	PSM	1	1
	25.72	20.1	41.7
	79	H	H18U	PSM	1	1
	26.06	19.02	40.12
	80	C	C1F	PSM	1	1
	26.72	15.4	55.86
	81	O	OF	PSM	1	1
	26.76	14.66	56.82
	82	C	C2F	PSM	1	1
	27.64	15.28	54.77
	83	H	H2F	PSM	1	1
	28.69	15.41	55.09
	84	H	H2G	PSM	1	1
	27.45	15.98	53.91
	85	C	C3F	PSM	1	1
	27.28	13.87	54.37
	86	H	H3F	PSM	1	1
	27.56	12.96	54.91
	87	H	H3G	PSM	1	1
	28.11	13.43	53.98
	88	C	C4F	PSM	1	1
	26.18	13.82	53.39
	89	H	H4F	PSM	1	1
	26.19	14.56	52.55
	90	H	H4G	PSM	1	1
	25.27	14.01	53.97
	91	C	C5F	PSM	1	1
	26.01	12.48	52.81
	92	H	H5F	PSM	1	1
	25.11	12.89	52.25
	93	H	H5G	PSM	1	1
	25.74	11.64	53.45
	94	C	C6F	PSM	1	1
	27.04	11.85	51.88
	95	H	H6F	PSM	1	1
	26.8	10.85	51.65
	96	H	H6G	PSM	1	1
	28.02	11.47	52.19
	97	C	C7F	PSM	1	1
	27.13	12.68	50.68
	98	H	H7F	PSM	1	1
	27.07	13.57	51.25
	99	H	H7G	PSM	1	1
	26.24	13.01	50.09
	100	C	C8F	PSM	1	1
	28.26	12.22	49.72
	101	H	H8F	PSM	1	1
	27.99	11.6	48.66
	102	H	H8G	PSM	1	1
	29.24	11.83	50.3
	103	C	C9F	PSM	1	1
	28.68	12.58	48.63
	104	H	H9F	PSM	1	1
	28.68	12.86	49.58
	105	H	H9G	PSM	1	1
	27.67	13.17	48.76
	106	C	C10F	PSM	1	1
	30.02	13.07	48.41
	107	H	H10F	PSM	1	1
	29.18	12.77	47.52
	108	H	H10G	PSM	1	1
	31.13	13	48.63
	109	C	C11F	PSM	1	1
	31	12.95	48.36
	110	H	H11F	PSM	1	1
	30.65	12.57	47.25
	111	H	H11G	PSM	1	1
	30.44	15.01	47.58
	112	C	C12F	PSM	1	1
	28.25	14.23	45.25
	113	H	H12F	PSM	1	1
	27.16	14.45	45.61
	114	H	H12G	PSM	1	1
	28.05	13.36	45.53
	115	C	C13F	PSM	1	1
	27.97	15.39	44.62
	116	H	H13F	PSM	1	1
	28.39	16.54	45.39
	117	H	H13G	PSM	1	1
	26.93	15.55	44.21
	118	C	C14F	PSM	1	1
	28.31	14.11	43.56
	119	H	H14F	PSM	1	1
	28.6	13.29	42.74
	120	H	H14G	PSM	1	1
	28.55	12.83	42.77
	121	C	C15F	PSM	1	1
	28.34	16.22	43.36
	122	H	H15F	PSM	1	1
	29.02	16.97	43.55
	123	H	H15G	PSM	1	1
	29.45	16.91	43.32
	124	C	C16F	PSM	1	1
	26.77	16.63	42.38
	125	H	H16F	PSM	1	1
	26.6	17.27	41.39
	126	H	H16G	PSM	1	1
	26.56	15.62	41.9
	127	H	H16H	PSM	1	1
	26.27	17.09	43.03

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

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

