# --------------------------------------------------------------------------
#
# 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 LNACL1.gro
#
#---------------------------------------------------------------------------

data_LNACL1

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

_entry.id	LNACL1

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

_chemical.entry_id	LNACL1
_chemical.name_common	'LNACL1'

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

_chemical_formula.entry_id	LNACL1
_chemical_formula.structural	'C81H144O17P2'

###############
## 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	C	C3	LNACL1	1	1
	39.24	51.11	61.2
	2	H	HG31	LNACL1	1	1
	40.2	51.34	61.72
	3	H	HG32	LNACL1	1	1
	38.96	50.05	61.42
	4	P	P3	LNACL1	1	1
	38.84	50.47	58.66
	5	O	OP33	LNACL1	1	1
	37.36	50.49	58.58
	6	O	OP34	LNACL1	1	1
	39.51	49.16	58.81
	7	O	OP31	LNACL1	1	1
	39.37	51.39	59.82
	8	O	OP32	LNACL1	1	1
	39.43	51.15	57.38
	9	C	C31	LNACL1	1	1
	40.8	51.53	57.34
	10	H	H31J	LNACL1	1	1
	40.97	52.36	58.06
	11	H	H31K	LNACL1	1	1
	41.48	50.7	57.67
	12	C	C2	LNACL1	1	1
	38.09	51.98	61.71
	13	H	HG22	LNACL1	1	1
	37.25	51.79	61.01
	14	O	OG12	LNACL1	1	1
	37.68	51.48	62.97
	15	H	HO12	LNACL1	1	1
	37.9	50.54	62.95
	16	C	C1	LNACL1	1	1
	38.41	53.51	61.79
	17	H	HG11	LNACL1	1	1
	38.64	53.78	62.84
	18	H	HG12	LNACL1	1	1
	37.48	54.07	61.55
	19	P	P1	LNACL1	1	1
	39.53	54.9	59.89
	20	O	OP13	LNACL1	1	1
	39.64	56.37	60.51
	21	H	HP13	LNACL1	1	1
	39.18	56.5	61.34
	22	O	OP14	LNACL1	1	1
	40.61	54.77	58.91
	23	O	OP11	LNACL1	1	1
	39.59	53.9	61.07
	24	O	OP12	LNACL1	1	1
	38.1	54.78	59.27
	25	C	C11	LNACL1	1	1
	37.7	55.72	58.29
	26	H	H11J	LNACL1	1	1
	38.54	55.99	57.6
	27	H	H11K	LNACL1	1	1
	37.35	56.67	58.76
	28	C	C12	LNACL1	1	1
	36.59	55.15	57.35
	29	H	H12J	LNACL1	1	1
	35.63	55.04	57.92
	30	O	O12	LNACL1	1	1
	36.98	53.89	56.73
	31	C	CA1	LNACL1	1	1
	35.98	53.08	56.31
	32	O	OA1	LNACL1	1	1
	34.83	53.18	56.69
	33	C	CA2	LNACL1	1	1
	36.49	52.18	55.17
	34	H	H2A	LNACL1	1	1
	37.43	51.71	55.49
	35	H	H2B	LNACL1	1	1
	36.72	52.84	54.3
	36	C	C13	LNACL1	1	1
	36.32	56.24	56.28
	37	H	H13J	LNACL1	1	1
	37.27	56.81	56.1
	38	H	H13K	LNACL1	1	1
	35.58	56.95	56.71
	39	O	O13	LNACL1	1	1
	35.74	55.67	55.1
	40	C	CB1	LNACL1	1	1
	36.25	56.07	53.95
	41	O	OB1	LNACL1	1	1
	37.09	56.94	53.82
	42	C	CB2	LNACL1	1	1
	35.52	55.33	52.82
	43	H	H2D	LNACL1	1	1
	34.76	56.02	52.39
	44	H	H2E	LNACL1	1	1
	35	54.45	53.26
	45	C	C32	LNACL1	1	1
	41.13	52.09	55.91
	46	H	H32J	LNACL1	1	1
	42.22	52.28	55.91
	47	O	O32	LNACL1	1	1
	40.34	53.29	55.72
	48	C	CC1	LNACL1	1	1
	40.95	54.32	55.12
	49	O	OC1	LNACL1	1	1
	42.12	54.36	54.81
	50	C	CC2	LNACL1	1	1
	39.87	55.33	54.67
	51	H	H2R	LNACL1	1	1
	39.31	55.64	55.57
	52	H	H2S	LNACL1	1	1
	39.18	54.81	53.97
	53	C	C33	LNACL1	1	1
	40.86	51.05	54.75
	54	H	H33J	LNACL1	1	1
	41.44	50.15	55.05
	55	H	H33K	LNACL1	1	1
	39.78	50.77	54.67
	56	O	O33	LNACL1	1	1
	41.42	51.44	53.49
	57	C	CD1	LNACL1	1	1
	40.76	52.16	52.61
	58	O	OD1	LNACL1	1	1
	39.6	52.53	52.69
	59	C	CD2	LNACL1	1	1
	41.78	52.5	51.49
	60	H	H2X	LNACL1	1	1
	42.33	51.59	51.19
	61	H	H2Y	LNACL1	1	1
	42.51	53.22	51.93
	62	C	CA3	LNACL1	1	1
	35.48	51.11	54.66
	63	H	H3A	LNACL1	1	1
	34.43	51.5	54.71
	64	H	H3B	LNACL1	1	1
	35.51	50.22	55.32
	65	C	CA4	LNACL1	1	1
	35.8	50.6	53.24
	66	H	H4A	LNACL1	1	1
	35.94	51.45	52.55
	67	H	H4B	LNACL1	1	1
	34.97	49.94	52.89
	68	C	CA5	LNACL1	1	1
	37.06	49.74	53.16
	69	H	H5A	LNACL1	1	1
	36.84	48.8	53.71
	70	H	H5B	LNACL1	1	1
	37.94	50.21	53.65
	71	C	CA6	LNACL1	1	1
	37.51	49.44	51.73
	72	H	H6A	LNACL1	1	1
	37.99	50.34	51.26
	73	H	H6B	LNACL1	1	1
	36.66	49.1	51.1
	74	C	CA7	LNACL1	1	1
	38.59	48.39	51.79
	75	H	H7A	LNACL1	1	1
	38.06	47.51	52.14
	76	H	H7B	LNACL1	1	1
	39.37	48.63	52.54
	77	C	CA8	LNACL1	1	1
	39.24	48.04	50.45
	78	H	H8A	LNACL1	1	1
	38.39	47.82	49.78
	79	H	H8B	LNACL1	1	1
	39.85	47.12	50.67
	80	C	CA9	LNACL1	1	1
	40.09	49.14	49.91
	81	H	H9A	LNACL1	1	1
	40.72	49.6	50.69
	82	C	CA10	LNACL1	1	1
	40.18	49.58	48.63
	83	H	H10A	LNACL1	1	1
	40.83	50.44	48.43
	84	C	CA11	LNACL1	1	1
	39.44	49.08	47.4
	85	H	H11A	LNACL1	1	1
	38.98	49.94	46.87
	86	H	H11B	LNACL1	1	1
	38.62	48.39	47.68
	87	C	CA12	LNACL1	1	1
	40.38	48.33	46.49
	88	H	H12A	LNACL1	1	1
	40.85	47.46	46.96
	89	C	CA13	LNACL1	1	1
	40.69	48.6	45.2
	90	H	H13A	LNACL1	1	1
	41.45	47.97	44.71
	91	C	CA14	LNACL1	1	1
	40.19	49.73	44.33
	92	H	H14A	LNACL1	1	1
	39.23	50.14	44.7
	93	H	H14B	LNACL1	1	1
	39.99	49.33	43.31
	94	C	CA15	LNACL1	1	1
	41.17	50.86	44.37
	95	H	H15A	LNACL1	1	1
	41.99	50.7	45.09
	96	C	CA16	LNACL1	1	1
	41.11	52.08	43.82
	97	H	H16A	LNACL1	1	1
	41.98	52.72	44.01
	98	C	CA17	LNACL1	1	1
	40.07	52.76	42.97
	99	H	H17A	LNACL1	1	1
	40.64	53.55	42.43
	100	H	H17B	LNACL1	1	1
	39.32	53.29	43.62
	101	C	CA18	LNACL1	1	1
	39.3	52	41.89
	102	H	H18A	LNACL1	1	1
	40.01	51.68	41.1
	103	H	H18B	LNACL1	1	1
	38.56	52.69	41.43
	104	H	H18C	LNACL1	1	1
	38.72	51.12	42.25
	105	C	CB3	LNACL1	1	1
	36.41	54.87	51.63
	106	H	H3D	LNACL1	1	1
	37.2	54.18	52
	107	H	H3E	LNACL1	1	1
	36.92	55.77	51.22
	108	C	CB4	LNACL1	1	1
	35.56	54.15	50.57
	109	H	H4D	LNACL1	1	1
	34.85	54.84	50.08
	110	H	H4E	LNACL1	1	1
	34.94	53.45	51.18
	111	C	CB5	LNACL1	1	1
	36.28	53.25	49.51
	112	H	H5D	LNACL1	1	1
	35.46	52.6	49.11
	113	H	H5E	LNACL1	1	1
	37.02	52.6	50.03
	114	C	CB6	LNACL1	1	1
	36.99	53.91	48.3
	115	H	H6D	LNACL1	1	1
	37.85	54.47	48.71
	116	H	H6E	LNACL1	1	1
	36.33	54.62	47.74
	117	C	CB7	LNACL1	1	1
	37.51	52.95	47.2
	118	H	H7D	LNACL1	1	1
	38.51	52.58	47.52
	119	H	H7E	LNACL1	1	1
	37.68	53.54	46.26
	120	C	CB8	LNACL1	1	1
	36.52	51.8	46.94
	121	H	H8D	LNACL1	1	1
	35.51	52.26	46.97
	122	H	H8E	LNACL1	1	1
	36.58	51.11	47.81
	123	C	CB9	LNACL1	1	1
	36.72	50.94	45.72
	124	H	H9D	LNACL1	1	1
	37.15	49.95	45.93
	125	C	CB10	LNACL1	1	1
	36.33	51.25	44.48
	126	H	H10D	LNACL1	1	1
	36.5	50.54	43.65
	127	C	CB11	LNACL1	1	1
	35.61	52.55	44.16
	128	H	H11D	LNACL1	1	1
	35.65	53.27	45
	129	H	H11E	LNACL1	1	1
	34.55	52.31	44.12
	130	C	CB12	LNACL1	1	1
	35.95	53.37	42.96
	131	H	H12D	LNACL1	1	1
	36.51	54.28	43.21
	132	C	CB13	LNACL1	1	1
	35.7	53.1	41.67
	133	H	H13D	LNACL1	1	1
	35.93	53.88	40.93
	134	C	CB14	LNACL1	1	1
	35.01	51.88	41.1
	135	H	H14D	LNACL1	1	1
	34.08	52.2	40.56
	136	H	H14E	LNACL1	1	1
	34.74	51.12	41.89
	137	C	CB15	LNACL1	1	1
	35.78	50.98	40.13
	138	H	H15D	LNACL1	1	1
	35.04	50.36	39.59
	139	H	H15E	LNACL1	1	1
	36.56	50.43	40.66
	140	C	CB16	LNACL1	1	1
	36.45	51.7	39.01
	141	H	H16D	LNACL1	1	1
	36.86	52.57	39.59
	142	H	H16E	LNACL1	1	1
	35.55	52.11	38.49
	143	C	CB17	LNACL1	1	1
	37.58	50.96	38.06
	144	H	H17D	LNACL1	1	1
	37.15	50	37.75
	145	H	H17E	LNACL1	1	1
	38.46	50.95	38.7
	146	C	CB18	LNACL1	1	1
	38.24	51.39	36.64
	147	H	H18D	LNACL1	1	1
	39.16	51.31	36.12
	148	H	H18E	LNACL1	1	1
	38.7	52.4	36.51
	149	H	H18F	LNACL1	1	1
	37.41	51.55	36.06
	150	C	CC3	LNACL1	1	1
	40.46	56.57	53.94
	151	H	H3R	LNACL1	1	1
	41.32	56.95	54.53
	152	H	H3S	LNACL1	1	1
	39.7	57.38	53.9
	153	C	CC4	LNACL1	1	1
	40.76	56.25	52.47
	154	H	H4R	LNACL1	1	1
	39.86	55.9	51.93
	155	H	H4S	LNACL1	1	1
	41.51	55.43	52.46
	156	C	CC5	LNACL1	1	1
	41.34	57.39	51.63
	157	H	H5R	LNACL1	1	1
	41.82	56.86	50.8
	158	H	H5S	LNACL1	1	1
	42.14	57.89	52.22
	159	C	CC6	LNACL1	1	1
	40.34	58.45	51.13
	160	H	H6R	LNACL1	1	1
	40.79	59.13	50.36
	161	H	H6S	LNACL1	1	1
	40.17	59.14	51.99
	162	C	CC7	LNACL1	1	1
	38.99	57.95	50.57
	163	H	H7R	LNACL1	1	1
	38.39	58.88	50.45
	164	H	H7S	LNACL1	1	1
	38.41	57.38	51.33
	165	C	CC8	LNACL1	1	1
	39.09	57.27	49.17
	166	H	H8R	LNACL1	1	1
	39.36	56.2	49.28
	167	H	H8S	LNACL1	1	1
	39.93	57.78	48.64
	168	C	CC9	LNACL1	1	1
	37.85	57.29	48.3
	169	H	H9R	LNACL1	1	1
	36.94	57.33	48.92
	170	C	CC10	LNACL1	1	1
	37.73	57.34	46.95
	171	H	H10R	LNACL1	1	1
	36.71	57.36	46.54
	172	C	CC11	LNACL1	1	1
	38.82	57.41	45.9
	173	H	H11R	LNACL1	1	1
	39.82	57.46	46.38
	174	H	H11S	LNACL1	1	1
	38.64	58.43	45.48
	175	C	CC12	LNACL1	1	1
	39.01	56.45	44.74
	176	H	H12R	LNACL1	1	1
	39.78	55.68	44.88
	177	C	CC13	LNACL1	1	1
	38.31	56.41	43.6
	178	H	H13R	LNACL1	1	1
	38.54	55.7	42.79
	179	C	CC14	LNACL1	1	1
	37.18	57.31	43.26
	180	H	H14R	LNACL1	1	1
	36.87	58.03	44.06
	181	H	H14S	LNACL1	1	1
	36.32	56.74	42.89
	182	C	CC15	LNACL1	1	1
	37.53	58.1	42.11
	183	H	H15R	LNACL1	1	1
	36.63	58.77	41.88
	184	H	H15S	LNACL1	1	1
	38.43	58.63	42.53
	185	C	CC16	LNACL1	1	1
	37.96	57.54	40.79
	186	H	H16R	LNACL1	1	1
	38.14	58.33	40
	187	H	H16S	LNACL1	1	1
	38.91	56.98	40.88
	188	C	CC17	LNACL1	1	1
	36.8	56.75	40.35
	189	H	H17R	LNACL1	1	1
	36.02	57.42	39.87
	190	H	H17S	LNACL1	1	1
	36.48	55.97	41.03
	191	C	CC18	LNACL1	1	1
	37.24	55.95	39.31
	192	H	H18R	LNACL1	1	1
	38.23	55.4	39.37
	193	H	H18S	LNACL1	1	1
	37.38	56.84	38.71
	194	H	H18T	LNACL1	1	1
	36.47	55.49	38.71
	195	C	CD3	LNACL1	1	1
	41.19	53.14	50.22
	196	H	H3X	LNACL1	1	1
	40.72	54.11	50.51
	197	H	H3Y	LNACL1	1	1
	40.4	52.49	49.78
	198	C	CD4	LNACL1	1	1
	42.22	53.46	49.15
	199	H	H4X	LNACL1	1	1
	42.55	52.56	48.58
	200	H	H4Y	LNACL1	1	1
	43.15	53.88	49.6
	201	C	CD5	LNACL1	1	1
	41.63	54.49	48.19
	202	H	H5X	LNACL1	1	1
	41.6	55.5	48.68
	203	H	H5Y	LNACL1	1	1
	40.59	54.25	47.88
	204	C	CD6	LNACL1	1	1
	42.37	54.45	46.87
	205	H	H6X	LNACL1	1	1
	41.88	55.14	46.13
	206	H	H6Y	LNACL1	1	1
	42.49	53.46	46.43
	207	C	CD7	LNACL1	1	1
	43.79	54.75	47.08
	208	H	H7X	LNACL1	1	1
	44.56	54.39	47.77
	209	H	H7Y	LNACL1	1	1
	43.49	55.56	47.72
	210	C	CD8	LNACL1	1	1
	44.37	55.03	45.74
	211	H	H8X	LNACL1	1	1
	45.31	55.52	45.98
	212	H	H8Y	LNACL1	1	1
	43.81	55.8	45.2
	213	C	CD9	LNACL1	1	1
	44.64	54	44.78
	214	H	H9X	LNACL1	1	1
	45.48	53.4	45.1
	215	C	CD10	LNACL1	1	1
	44.14	54.09	43.53
	216	H	H10X	LNACL1	1	1
	44.36	53.26	42.87
	217	C	CD11	LNACL1	1	1
	43.27	55.17	42.91
	218	H	H11X	LNACL1	1	1
	42.44	55.58	43.54
	219	H	H11Y	LNACL1	1	1
	42.73	54.57	42.16
	220	C	CD12	LNACL1	1	1
	44.12	56.34	42.36
	221	H	H12X	LNACL1	1	1
	44.15	57.19	43.04
	222	C	CD13	LNACL1	1	1
	44.6	56.67	41.11
	223	H	H13X	LNACL1	1	1
	45.2	57.53	40.86
	224	C	CD14	LNACL1	1	1
	44.47	56.09	39.82
	225	H	H14X	LNACL1	1	1
	43.99	55.37	40.46
	226	H	H14Y	LNACL1	1	1
	45.48	55.68	39.77
	227	C	CD15	LNACL1	1	1
	43.66	56.44	38.28
	228	H	H15X	LNACL1	1	1
	44.37	57.1	37.82
	229	H	H15Y	LNACL1	1	1
	42.8	57.09	38.22
	230	C	CD16	LNACL1	1	1
	43.03	55.48	37.04
	231	H	H16X	LNACL1	1	1
	43.91	55.11	36.55
	232	H	H16Y	LNACL1	1	1
	42.94	55.86	36.03
	233	C	CD17	LNACL1	1	1
	42.1	54.19	37.33
	234	H	H17X	LNACL1	1	1
	42.61	53.29	37.68
	235	H	H17Y	LNACL1	1	1
	41.9	53.43	36.58
	236	C	CD18	LNACL1	1	1
	40.96	54.4	38.28
	237	H	H18X	LNACL1	1	1
	40.28	53.56	38.44
	238	H	H18Y	LNACL1	1	1
	40.42	55.01	37.57
	239	H	H18Z	LNACL1	1	1
	41.15	54.88	39.27

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

_cell.entry_id	LNACL1
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

