# --------------------------------------------------------------------------
#
# 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 BSM.gro
#
#---------------------------------------------------------------------------

data_BSM

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

_entry.id	BSM

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

_chemical.entry_id	BSM
_chemical.name_common	'BSM'

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

_chemical_formula.entry_id	BSM
_chemical_formula.structural	'C45H92N2O6P'

###############
## 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	BSM	1	1
	3.93	61.79	65.43
	2	C	C15	BSM	1	1
	5.2	61.02	65.36
	3	H	H15A	BSM	1	1
	5.19	60.33	64.51
	4	H	H15B	BSM	1	1
	5.22	60.39	66.24
	5	H	H15C	BSM	1	1
	6.08	61.63	65.28
	6	C	C14	BSM	1	1
	4.09	62.87	66.44
	7	H	H14A	BSM	1	1
	4.93	63.48	66.16
	8	H	H14B	BSM	1	1
	4.24	62.53	67.46
	9	H	H14C	BSM	1	1
	3.24	63.54	66.43
	10	C	C13	BSM	1	1
	3.69	62.45	64.12
	11	H	H13A	BSM	1	1
	3.78	61.73	63.31
	12	H	H13B	BSM	1	1
	4.45	63.2	64
	13	H	H13C	BSM	1	1
	2.71	62.92	64.08
	14	C	C12	BSM	1	1
	2.78	60.9	65.85
	15	H	H12A	BSM	1	1
	1.92	61.51	66.07
	16	H	H12B	BSM	1	1
	3.07	60.47	66.79
	17	C	C11	BSM	1	1
	2.3	59.74	64.95
	18	H	H11A	BSM	1	1
	1.64	60.12	64.13
	19	H	H11B	BSM	1	1
	1.75	59.02	65.6
	20	P	P	BSM	1	1
	3.39	57.83	63.59
	21	O	O13	BSM	1	1
	4.15	56.76	64.23
	22	O	O14	BSM	1	1
	1.93	57.62	63.39
	23	O	O11	BSM	1	1
	3.97	58.1	62.14
	24	O	O12	BSM	1	1
	3.44	59.15	64.39
	25	C	C1S	BSM	1	1
	3.93	59.46	61.72
	26	H	H1S	BSM	1	1
	4.65	60.04	62.33
	27	H	H1T	BSM	1	1
	2.91	59.9	61.86
	28	N	NF	BSM	1	1
	4.36	61	59.89
	29	H	HNF	BSM	1	1
	3.75	61.33	59.18
	30	C	C2S	BSM	1	1
	4.29	59.6	60.23
	31	H	H2S	BSM	1	1
	5.29	59.14	60.04
	32	C	C3S	BSM	1	1
	3.24	58.81	59.44
	33	H	H3S	BSM	1	1
	2.23	58.87	59.89
	34	O	O3	BSM	1	1
	3.58	57.43	59.44
	35	H	HO3	BSM	1	1
	4.24	57.18	60.06
	36	C	C4S	BSM	1	1
	3.11	59.29	58.01
	37	H	H4S	BSM	1	1
	4.05	59.29	57.45
	38	C	C5S	BSM	1	1
	1.99	59.68	57.37
	39	H	H5S	BSM	1	1
	1	59.64	57.85
	40	C	C6S	BSM	1	1
	2.04	60.12	55.93
	41	H	H6S	BSM	1	1
	1.62	59.34	55.26
	42	H	H6T	BSM	1	1
	3.09	60.34	55.61
	43	C	C7S	BSM	1	1
	1.27	61.4	55.66
	44	H	H7S	BSM	1	1
	2.01	62.22	55.74
	45	H	H7T	BSM	1	1
	0.42	61.59	56.33
	46	C	C8S	BSM	1	1
	0.49	61.35	54.36
	47	H	H8S	BSM	1	1
	-0.15	62.28	54.35
	48	H	H8T	BSM	1	1
	-0.14	60.49	54.13
	49	C	C9S	BSM	1	1
	1.45	61.22	53.21
	50	H	H9S	BSM	1	1
	2.16	60.47	52.96
	51	H	H9T	BSM	1	1
	2.12	61.96	53.67
	52	C	C10S	BSM	1	1
	0.84	61.47	51.85
	53	H	H10S	BSM	1	1
	0.51	62.34	52.59
	54	H	H10T	BSM	1	1
	-0.22	61.29	51.64
	55	C	C11S	BSM	1	1
	1.89	61.71	50.38
	56	H	H11S	BSM	1	1
	2.93	62.14	50.3
	57	H	H11T	BSM	1	1
	1.98	62.75	49.8
	58	C	C12S	BSM	1	1
	1.57	60.68	49.57
	59	H	H12S	BSM	1	1
	0.47	60.63	49.48
	60	H	H12T	BSM	1	1
	1.94	60	50.37
	61	C	C13S	BSM	1	1
	2.29	60.82	48.28
	62	H	H13S	BSM	1	1
	2.15	59.75	48.04
	63	H	H13T	BSM	1	1
	3.34	61.13	48.4
	64	C	C14S	BSM	1	1
	1.64	61.67	47.19
	65	H	H14S	BSM	1	1
	1.77	62.77	47.35
	66	H	H14T	BSM	1	1
	0.56	61.41	47.23
	67	C	C15S	BSM	1	1
	2.22	61.27	45.83
	68	H	H15S	BSM	1	1
	2.3	60.16	45.86
	69	H	H15T	BSM	1	1
	3.24	61.69	45.74
	70	C	C16S	BSM	1	1
	1.37	61.68	44.62
	71	H	H16S	BSM	1	1
	1.15	62.76	44.68
	72	H	H16T	BSM	1	1
	0.4	61.14	44.65
	73	C	C17S	BSM	1	1
	2.08	61.48	43.27
	74	H	H17S	BSM	1	1
	2.61	60.52	43.2
	75	H	H17T	BSM	1	1
	2.85	62.29	43.21
	76	C	C18S	BSM	1	1
	1.15	61.57	42.06
	77	H	H18S	BSM	1	1
	0.3	60.88	42.16
	78	H	H18T	BSM	1	1
	1.71	61.28	41.15
	79	H	H18U	BSM	1	1
	0.73	62.59	41.96
	80	C	C1F	BSM	1	1
	5.26	61.81	60.39
	81	O	OF	BSM	1	1
	6.09	61.51	61.24
	82	C	C2F	BSM	1	1
	5.2	63.12	59.84
	83	H	H2F	BSM	1	1
	4.71	63.83	60.56
	84	H	H2G	BSM	1	1
	4.64	63.2	58.87
	85	C	C3F	BSM	1	1
	6.66	63.41	59.61
	86	H	H3F	BSM	1	1
	7.35	63.59	60.45
	87	H	H3G	BSM	1	1
	6.33	64.35	59.44
	88	C	C4F	BSM	1	1
	7.33	62.84	58.35
	89	H	H4F	BSM	1	1
	7.68	61.85	58.71
	90	H	H4G	BSM	1	1
	8.21	63.42	57.99
	91	C	C5F	BSM	1	1
	6.43	62.76	57.12
	92	H	H5F	BSM	1	1
	5.78	63.67	57.08
	93	H	H5G	BSM	1	1
	5.81	61.85	57.27
	94	C	C6F	BSM	1	1
	7.16	62.66	55.78
	95	H	H6F	BSM	1	1
	7.82	61.76	55.79
	96	H	H6G	BSM	1	1
	7.83	63.54	55.63
	97	C	C7F	BSM	1	1
	6.16	62.59	54.61
	98	H	H7F	BSM	1	1
	5.6	63.54	54.59
	99	H	H7G	BSM	1	1
	5.46	61.76	54.74
	100	C	C8F	BSM	1	1
	6.77	62.28	53.26
	101	H	H8F	BSM	1	1
	7.35	61.36	53.31
	102	H	H8G	BSM	1	1
	7.55	63.06	53.25
	103	C	C9F	BSM	1	1
	5.79	62.1	52.01
	104	H	H9F	BSM	1	1
	5.09	62.9	51.69
	105	H	H9G	BSM	1	1
	5.09	61.34	52.19
	106	C	C10F	BSM	1	1
	6.55	61.93	50.72
	107	H	H10F	BSM	1	1
	7.55	61.72	50.8
	108	H	H10G	BSM	1	1
	7.05	62.82	50.79
	109	C	C11F	BSM	1	1
	6	62.21	49.34
	110	H	H11F	BSM	1	1
	5.88	63.29	49.11
	111	H	H11G	BSM	1	1
	5.05	61.7	49.42
	112	C	C12F	BSM	1	1
	6.91	61.65	48.25
	113	H	H12F	BSM	1	1
	7.07	60.67	48.65
	114	H	H12G	BSM	1	1
	7.91	62.05	48
	115	C	C13F	BSM	1	1
	6.29	61.84	46.9
	116	H	H13F	BSM	1	1
	6.67	62.84	46.57
	117	H	H13G	BSM	1	1
	5.21	61.81	47.1
	118	C	C14F	BSM	1	1
	6.73	60.84	45.86
	119	H	H14F	BSM	1	1
	7.81	60.89	45.86
	120	H	H14G	BSM	1	1
	6.62	61.22	44.83
	121	C	C15F	BSM	1	1
	6.22	59.42	46.06
	122	H	H15F	BSM	1	1
	5.76	59.29	47.06
	123	H	H15G	BSM	1	1
	7.02	58.65	45.96
	124	C	C16F	BSM	1	1
	5.24	59.15	44.96
	125	H	H16F	BSM	1	1
	5.86	59.09	44.03
	126	H	H16G	BSM	1	1
	4.5	59.97	44.86
	127	C	C17F	BSM	1	1
	4.41	57.93	45.22
	128	H	H17F	BSM	1	1
	3.98	57.88	46.22
	129	H	H17G	BSM	1	1
	5.09	57.04	45.2
	130	C	C18F	BSM	1	1
	3.23	57.99	44.21
	131	H	H18F	BSM	1	1
	2.58	58.84	44.37
	132	H	H18G	BSM	1	1
	2.48	57.18	44.34
	133	C	C19F	BSM	1	1
	3.71	58.18	42.77
	134	H	H19F	BSM	1	1
	3.95	59.19	42.47
	135	H	H19G	BSM	1	1
	2.8	57.87	42.17
	136	C	C20F	BSM	1	1
	5.08	57.57	42.35
	137	H	H20F	BSM	1	1
	5.15	56.95	43.3
	138	H	H20G	BSM	1	1
	6	57.2	42.84
	139	C	C21F	BSM	1	1
	4.95	56.95	40.85
	140	H	H21F	BSM	1	1
	5.76	56.12	40.72
	141	H	H21G	BSM	1	1
	5.56	57.6	40.61
	142	C	C22F	BSM	1	1
	3.55	56.71	39.83
	143	H	H22F	BSM	1	1
	2.8	55.88	39.84
	144	H	H22G	BSM	1	1
	3.76	55.79	39.16
	145	H	H22H	BSM	1	1
	2.71	57.32	39.73

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

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

