# --------------------------------------------------------------------------
#
# 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 NSM.gro
#
#---------------------------------------------------------------------------

data_NSM

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

_entry.id	NSM

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

_chemical.entry_id	NSM
_chemical.name_common	'NSM'

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

_chemical_formula.entry_id	NSM
_chemical_formula.structural	'C47H98N2O6P'

###############
## 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	NSM	1	1
	56.28	30.58	67.8
	2	C	C15	NSM	1	1
	57.31	29.52	67.89
	3	H	H15A	NSM	1	1
	57.52	29.06	66.92
	4	H	H15B	NSM	1	1
	57.04	28.74	68.59
	5	H	H15C	NSM	1	1
	58.28	29.94	68.16
	6	C	C14	NSM	1	1
	55.08	29.92	67.19
	7	H	H14A	NSM	1	1
	55.25	29.76	66.12
	8	H	H14B	NSM	1	1
	54.17	30.49	67.33
	9	H	H14C	NSM	1	1
	54.89	28.92	67.57
	10	C	C13	NSM	1	1
	55.96	31.17	69.14
	11	H	H13A	NSM	1	1
	56.04	30.44	69.93
	12	H	H13B	NSM	1	1
	54.98	31.64	69.14
	13	H	H13C	NSM	1	1
	56.66	31.99	69.31
	14	C	C12	NSM	1	1
	56.75	31.78	66.97
	15	H	H12A	NSM	1	1
	57.53	32.32	67.52
	16	H	H12B	NSM	1	1
	55.93	32.48	66.9
	17	C	C11	NSM	1	1
	57.27	31.58	65.53
	18	H	H11A	NSM	1	1
	57.39	32.62	65.13
	19	H	H11B	NSM	1	1
	56.48	31.11	64.91
	20	P	P	NSM	1	1
	59.92	31.4	65.46
	21	O	O13	NSM	1	1
	60.03	32.41	66.53
	22	O	O14	NSM	1	1
	60.88	30.26	65.53
	23	O	O11	NSM	1	1
	60.12	32.03	64.03
	24	O	O12	NSM	1	1
	58.46	30.8	65.46
	25	C	C1S	NSM	1	1
	60.69	31.33	62.94
	26	H	H1S	NSM	1	1
	60.24	30.31	62.89
	27	H	H1T	NSM	1	1
	61.79	31.22	63.11
	28	N	NF	NSM	1	1
	59.01	32.21	61.38
	29	H	HNF	NSM	1	1
	58.49	31.5	60.94
	30	C	C2S	NSM	1	1
	60.41	32.04	61.56
	31	H	H2S	NSM	1	1
	60.94	33.01	61.52
	32	C	C3S	NSM	1	1
	60.94	31.12	60.48
	33	H	H3S	NSM	1	1
	60.47	30.14	60.51
	34	O	O3	NSM	1	1
	62.26	30.77	60.82
	35	H	HO3	NSM	1	1
	62.53	31.45	61.45
	36	C	C4S	NSM	1	1
	60.73	31.74	59.1
	37	H	H4S	NSM	1	1
	61.22	32.7	58.85
	38	C	C5S	NSM	1	1
	59.96	31.16	58.16
	39	H	H5S	NSM	1	1
	59.48	30.21	58.41
	40	C	C6S	NSM	1	1
	59.65	31.67	56.77
	41	H	H6S	NSM	1	1
	58.69	32.23	56.87
	42	H	H6T	NSM	1	1
	59.47	30.83	56.06
	43	C	C7S	NSM	1	1
	60.65	32.63	56.09
	44	H	H7S	NSM	1	1
	61.55	32.04	55.78
	45	H	H7T	NSM	1	1
	60.95	33.43	56.8
	46	C	C8S	NSM	1	1
	60.13	33.26	54.78
	47	H	H8S	NSM	1	1
	59.38	34.05	54.98
	48	H	H8T	NSM	1	1
	59.66	32.46	54.18
	49	C	C9S	NSM	1	1
	61.23	33.81	53.89
	50	H	H9S	NSM	1	1
	62.24	33.77	54.36
	51	H	H9T	NSM	1	1
	60.9	34.82	53.74
	52	C	C10S	NSM	1	1
	61.29	33.3	52.46
	53	H	H10S	NSM	1	1
	61.4	32.21	52.57
	54	H	H10T	NSM	1	1
	62.17	33.75	51.99
	55	C	C11S	NSM	1	1
	60.13	33.66	51.52
	56	H	H11S	NSM	1	1
	59.93	34.76	51.53
	57	H	H11T	NSM	1	1
	59.24	33.13	51.9
	58	C	C12S	NSM	1	1
	60.45	33.21	50.08
	59	H	H12S	NSM	1	1
	59.57	33.38	49.44
	60	H	H12T	NSM	1	1
	60.7	32.13	50.05
	61	C	C13S	NSM	1	1
	61.56	33.95	49.36
	62	H	H13S	NSM	1	1
	62.55	33.56	49.67
	63	H	H13T	NSM	1	1
	61.53	35.04	49.58
	64	C	C14S	NSM	1	1
	61.34	33.72	47.91
	65	H	H14S	NSM	1	1
	60.3	33.99	47.6
	66	H	H14T	NSM	1	1
	61.56	32.7	47.52
	67	C	C15S	NSM	1	1
	62.13	34.57	47.14
	68	H	H15S	NSM	1	1
	63.23	34.69	47.34
	69	H	H15T	NSM	1	1
	61.7	35.64	47.27
	70	C	C16S	NSM	1	1
	61.91	33.89	45.74
	71	H	H16S	NSM	1	1
	60.91	33.97	45.24
	72	H	H16T	NSM	1	1
	62.71	33.26	45.32
	73	C	C17S	NSM	1	1
	62.18	34.85	44.93
	74	H	H17S	NSM	1	1
	62.7	35.62	45.72
	75	H	H17T	NSM	1	1
	61.89	35.8	45.5
	76	C	C18S	NSM	1	1
	62.68	34.82	43.06
	77	H	H18S	NSM	1	1
	62.05	34.4	42.75
	78	H	H18T	NSM	1	1
	63.27	34.36	42.36
	79	H	H18U	NSM	1	1
	62.52	35.77	42.32
	80	C	C1F	NSM	1	1
	58.36	33.2	61.99
	81	O	OF	NSM	1	1
	58.9	34.07	62.65
	82	C	C2F	NSM	1	1
	56.92	33.27	61.79
	83	H	H2F	NSM	1	1
	56.44	33.66	62.71
	84	H	H2G	NSM	1	1
	56.5	32.25	61.67
	85	C	C3F	NSM	1	1
	56.72	34.17	60.56
	86	H	H3F	NSM	1	1
	57.26	33.79	59.66
	87	H	H3G	NSM	1	1
	57.1	35.22	60.69
	88	C	C4F	NSM	1	1
	55.23	34.25	60.3
	89	H	H4F	NSM	1	1
	55.1	35.04	59.56
	90	H	H4G	NSM	1	1
	54.72	34.56	61.24
	91	C	C5F	NSM	1	1
	54.61	32.94	59.78
	92	H	H5F	NSM	1	1
	53.54	33.15	59.58
	93	H	H5G	NSM	1	1
	54.65	32.2	60.61
	94	C	C6F	NSM	1	1
	55.26	32.3	58.53
	95	H	H6F	NSM	1	1
	56.24	31.88	58.83
	96	H	H6G	NSM	1	1
	55.41	33.06	57.73
	97	C	C7F	NSM	1	1
	54.48	31.1	57.93
	98	H	H7F	NSM	1	1
	53.43	31.41	57.77
	99	H	H7G	NSM	1	1
	54.5	30.25	58.66
	100	C	C8F	NSM	1	1
	55.02	30.61	56.58
	101	H	H8F	NSM	1	1
	56.13	30.63	56.6
	102	H	H8G	NSM	1	1
	54.73	31.36	55.81
	103	C	C9F	NSM	1	1
	54.61	29.19	56.16
	104	H	H9F	NSM	1	1
	53.65	29.16	55.61
	105	H	H9G	NSM	1	1
	54.4	28.51	57.01
	106	C	C10F	NSM	1	1
	55.74	28.57	55.32
	107	H	H10F	NSM	1	1
	55.38	27.57	54.97
	108	H	H10G	NSM	1	1
	56.63	28.42	55.97
	109	C	C11F	NSM	1	1
	56.14	29.37	54.06
	110	H	H11F	NSM	1	1
	56.53	30.38	54.3
	111	H	H11G	NSM	1	1
	55.19	29.51	53.5
	112	C	C12F	NSM	1	1
	57.19	28.64	53.18
	113	H	H12F	NSM	1	1
	56.87	27.58	53.1
	114	H	H12G	NSM	1	1
	58.18	28.62	53.69
	115	C	C13F	NSM	1	1
	57.4	29.13	51.73
	116	H	H13F	NSM	1	1
	56.5	28.96	51.1
	117	H	H13G	NSM	1	1
	58.25	28.51	51.34
	118	C	C14F	NSM	1	1
	57.85	30.58	51.57
	119	H	H14F	NSM	1	1
	58.78	30.64	52.17
	120	H	H14G	NSM	1	1
	57.12	31.33	51.95
	121	C	C15F	NSM	1	1
	58.32	30.73	50.15
	122	H	H15F	NSM	1	1
	59.32	30.38	49.96
	123	C	C16F	NSM	1	1
	57.8	31.37	49.14
	124	H	H16F	NSM	1	1
	58.29	31.46	48.16
	125	C	C17F	NSM	1	1
	56.59	32.09	49.24
	126	H	H17F	NSM	1	1
	56.04	31.95	50.2
	127	H	H17G	NSM	1	1
	55.85	31.67	48.57
	128	C	C18F	NSM	1	1
	57.15	33.51	48.93
	129	H	H18F	NSM	1	1
	57.58	34.2	49.63
	130	H	H18G	NSM	1	1
	56.3	33.95	49.19
	131	C	C19F	NSM	1	1
	57.23	34.13	47.55
	132	H	H19F	NSM	1	1
	56.62	33.52	47
	133	H	H19G	NSM	1	1
	58.07	33.73	46.99
	134	C	C20F	NSM	1	1
	56.56	35.55	47.36
	135	H	H20F	NSM	1	1
	57.14	36.26	47.9
	136	H	H20G	NSM	1	1
	55.49	35.93	47.42
	137	C	C21F	NSM	1	1
	56.43	35.75	45.99
	138	H	H21F	NSM	1	1
	57.46	35.35	45.82
	139	H	H21G	NSM	1	1
	56.27	36.85	46.06
	140	C	C22F	NSM	1	1
	55.26	35.63	44.97
	141	H	H22F	NSM	1	1
	54.38	36.24	45.02
	142	H	H22G	NSM	1	1
	55.14	34.73	45.34
	143	C	C23F	NSM	1	1
	55.39	35.58	43.5
	144	H	H23F	NSM	1	1
	54.88	35.14	42.8
	145	H	H23G	NSM	1	1
	56.26	34.91	43.18
	146	C	C24F	NSM	1	1
	55.01	36.97	43.03
	147	H	H24F	NSM	1	1
	55.29	37.24	41.99
	148	H	H24G	NSM	1	1
	55.6	37.7	43.75
	149	H	H24H	NSM	1	1
	54.73	37.74	43.6

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

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

