# --------------------------------------------------------------------------
#
# 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 LNACL2.gro
#
#---------------------------------------------------------------------------

data_LNACL2

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

_entry.id	LNACL2

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

_chemical.entry_id	LNACL2
_chemical.name_common	'LNACL2'

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

_chemical_formula.entry_id	LNACL2
_chemical_formula.structural	'C81H150O17P2'

###############
## 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	LNACL2	1	1
	49.95	38.48	60.66
	2	H	HG31	LNACL2	1	1
	50.08	38.55	59.55
	3	H	HG32	LNACL2	1	1
	48.94	38.05	60.86
	4	P	P3	LNACL2	1	1
	49.24	40.88	60.45
	5	O	OP33	LNACL2	1	1
	49.42	42.2	61.11
	6	O	OP34	LNACL2	1	1
	47.88	40.32	60.33
	7	O	OP31	LNACL2	1	1
	50.08	39.79	61.27
	8	O	OP32	LNACL2	1	1
	50	40.89	59.08
	9	C	C31	LNACL2	1	1
	49.59	41.73	58
	10	H	H31J	LNACL2	1	1
	48.53	42.06	58.05
	11	H	H31K	LNACL2	1	1
	50.26	42.63	57.94
	12	C	C2	LNACL2	1	1
	51.01	37.42	61.07
	13	H	HG22	LNACL2	1	1
	52.02	37.74	60.73
	14	O	OG12	LNACL2	1	1
	51.02	37.18	62.48
	15	H	HO12	LNACL2	1	1
	51.46	36.33	62.58
	16	C	C1	LNACL2	1	1
	50.7	36.11	60.3
	17	H	HG11	LNACL2	1	1
	49.79	35.63	60.7
	18	H	HG12	LNACL2	1	1
	51.59	35.44	60.4
	19	P	P1	LNACL2	1	1
	50.71	35.66	57.63
	20	O	OP13	LNACL2	1	1
	49.82	34.48	57.63
	21	O	OP14	LNACL2	1	1
	50.62	36.62	56.52
	22	O	OP11	LNACL2	1	1
	50.43	36.44	58.95
	23	O	OP12	LNACL2	1	1
	52.2	35.21	57.88
	24	C	C11	LNACL2	1	1
	53.12	36.3	58.06
	25	H	H11J	LNACL2	1	1
	54.05	35.86	58.39
	26	H	H11K	LNACL2	1	1
	52.78	36.95	58.9
	27	C	C12	LNACL2	1	1
	53.48	37.09	56.76
	28	H	H12J	LNACL2	1	1
	52.63	37.78	56.55
	29	O	O12	LNACL2	1	1
	53.6	36.1	55.71
	30	C	CA1	LNACL2	1	1
	53.41	36.42	54.46
	31	O	OA1	LNACL2	1	1
	53.26	37.52	53.96
	32	C	CA2	LNACL2	1	1
	53.5	35.15	53.61
	33	H	H2A	LNACL2	1	1
	52.58	34.55	53.71
	34	H	H2B	LNACL2	1	1
	54.34	34.5	53.94
	35	C	C13	LNACL2	1	1
	54.76	37.99	56.85
	36	H	H13J	LNACL2	1	1
	55.62	37.29	56.78
	37	H	H13K	LNACL2	1	1
	54.86	38.54	57.82
	38	O	O13	LNACL2	1	1
	54.75	38.88	55.72
	39	C	CB1	LNACL2	1	1
	54.98	40.18	55.86
	40	O	OB1	LNACL2	1	1
	55.39	40.73	56.86
	41	C	CB2	LNACL2	1	1
	54.66	40.89	54.51
	42	H	H2D	LNACL2	1	1
	54.2	41.88	54.63
	43	H	H2E	LNACL2	1	1
	54.02	40.21	53.91
	44	C	C32	LNACL2	1	1
	49.71	40.91	56.71
	45	H	H32J	LNACL2	1	1
	49.26	41.48	55.86
	46	O	O32	LNACL2	1	1
	49.08	39.62	56.88
	47	C	CC1	LNACL2	1	1
	47.85	39.51	56.47
	48	O	OC1	LNACL2	1	1
	47.09	40.41	56.17
	49	C	CC2	LNACL2	1	1
	47.58	38.04	56.17
	50	H	H2R	LNACL2	1	1
	47.27	37.52	57.1
	51	H	H2S	LNACL2	1	1
	48.48	37.57	55.72
	52	C	C33	LNACL2	1	1
	51.21	40.67	56.41
	53	H	H33J	LNACL2	1	1
	51.77	41.63	56.32
	54	H	H33K	LNACL2	1	1
	51.65	40.14	57.28
	55	O	O33	LNACL2	1	1
	51.35	39.87	55.24
	56	C	CD1	LNACL2	1	1
	51.31	40.53	54.09
	57	O	OD1	LNACL2	1	1
	51.3	41.74	53.98
	58	C	CD2	LNACL2	1	1
	51.28	39.51	52.95
	59	H	H2X	LNACL2	1	1
	50.93	38.55	53.4
	60	H	H2Y	LNACL2	1	1
	52.32	39.34	52.59
	61	C	CA3	LNACL2	1	1
	53.84	35.58	52.19
	62	H	H3A	LNACL2	1	1
	54.75	36.21	52.19
	63	H	H3B	LNACL2	1	1
	53.07	36.18	51.66
	64	C	CA4	LNACL2	1	1
	54.15	34.37	51.38
	65	H	H4A	LNACL2	1	1
	53.24	33.76	51.24
	66	H	H4B	LNACL2	1	1
	54.94	33.72	51.86
	67	C	CA5	LNACL2	1	1
	54.52	34.85	50.02
	68	H	H5A	LNACL2	1	1
	55.59	35.19	50.23
	69	H	H5B	LNACL2	1	1
	54.18	35.78	49.57
	70	C	CA6	LNACL2	1	1
	54.05	33.7	49.02
	71	H	H6A	LNACL2	1	1
	53.14	33.15	49.09
	72	H	H6B	LNACL2	1	1
	54.59	32.89	49.42
	73	C	CA7	LNACL2	1	1
	54.26	33.86	47.49
	74	H	H7A	LNACL2	1	1
	54.99	34.34	48.01
	75	H	H7B	LNACL2	1	1
	53.9	34.78	47.05
	76	C	CA8	LNACL2	1	1
	54.72	32.68	46.46
	77	H	H8A	LNACL2	1	1
	53.77	32.19	46.33
	78	H	H8B	LNACL2	1	1
	55.43	32	46.91
	79	C	CA9	LNACL2	1	1
	55.54	32.6	45.15
	80	H	H9A	LNACL2	1	1
	56.55	33.12	45.18
	81	C	CA10	LNACL2	1	1
	54.92	32.92	44.03
	82	H	H10A	LNACL2	1	1
	55.6	33.23	43.23
	83	C	CA11	LNACL2	1	1
	53.47	33.4	43.94
	84	H	H11A	LNACL2	1	1
	53.17	34.5	43.93
	85	H	H11B	LNACL2	1	1
	52.9	33.05	44.81
	86	C	CA12	LNACL2	1	1
	53.05	32.78	42.69
	87	H	H12A	LNACL2	1	1
	52.24	32.1	42.91
	88	C	CA13	LNACL2	1	1
	53.49	32.98	41.45
	89	H	H13A	LNACL2	1	1
	53.15	32.29	40.65
	90	C	CA14	LNACL2	1	1
	54.58	33.96	41.12
	91	H	H14A	LNACL2	1	1
	55.62	33.69	41.43
	92	H	H14B	LNACL2	1	1
	54.33	35.05	41.15
	93	C	CA15	LNACL2	1	1
	54.63	33.84	39.83
	94	H	H15A	LNACL2	1	1
	55.45	33.16	39.64
	95	C	CA16	LNACL2	1	1
	53.97	34.52	38.96
	96	H	H16A	LNACL2	1	1
	53.63	33.84	38.2
	97	C	CA17	LNACL2	1	1
	53.06	35.54	38.64
	98	H	H17A	LNACL2	1	1
	53.76	36.36	38.29
	99	H	H17B	LNACL2	1	1
	52.65	35.62	39.62
	100	C	CA18	LNACL2	1	1
	52.11	35.05	37.51
	101	H	H18A	LNACL2	1	1
	52.47	34.71	36.55
	102	H	H18B	LNACL2	1	1
	51.65	35.82	36.98
	103	H	H18C	LNACL2	1	1
	51.28	34.44	37.86
	104	C	CB3	LNACL2	1	1
	55.92	41.2	53.74
	105	H	H3D	LNACL2	1	1
	56.58	41.94	54.26
	106	H	H3E	LNACL2	1	1
	55.84	41.5	52.69
	107	C	CB4	LNACL2	1	1
	56.56	39.9	53.54
	108	H	H4D	LNACL2	1	1
	56.64	39.25	54.41
	109	H	H4E	LNACL2	1	1
	57.56	40.35	53.61
	110	C	CB5	LNACL2	1	1
	55.98	38.95	52.45
	111	H	H5D	LNACL2	1	1
	55.28	38.3	52.92
	112	H	H5E	LNACL2	1	1
	56.66	38.19	52.11
	113	C	CB6	LNACL2	1	1
	55.39	39.47	51.13
	114	H	H6D	LNACL2	1	1
	56.02	40.34	51.11
	115	H	H6E	LNACL2	1	1
	54.54	40.1	51.32
	116	C	CB7	LNACL2	1	1
	55.49	38.52	49.78
	117	H	H7D	LNACL2	1	1
	54.91	37.66	50.12
	118	H	H7E	LNACL2	1	1
	56.48	38.01	49.56
	119	C	CB8	LNACL2	1	1
	55.02	39.09	48.25
	120	H	H8D	LNACL2	1	1
	54.07	39.42	48.63
	121	H	H8E	LNACL2	1	1
	55.23	38.12	47.72
	122	C	CB9	LNACL2	1	1
	55.34	40.3	47.25
	123	H	H9D	LNACL2	1	1
	55.85	41.19	47.57
	124	C	CB10	LNACL2	1	1
	55.98	40.36	46.08
	125	H	H10D	LNACL2	1	1
	56.7	41.19	46
	126	C	CB11	LNACL2	1	1
	56.55	39.21	45.37
	127	H	H11D	LNACL2	1	1
	56.53	39.76	44.42
	128	H	H11E	LNACL2	1	1
	55.71	38.6	45.58
	129	C	CB12	LNACL2	1	1
	57.85	38.34	45.51
	130	H	H12D	LNACL2	1	1
	58.62	38.47	46.25
	131	C	CB13	LNACL2	1	1
	58.39	37.33	44.95
	132	H	H13D	LNACL2	1	1
	59.15	36.72	45.43
	133	C	CB14	LNACL2	1	1
	57.8	36.63	43.93
	134	H	H14D	LNACL2	1	1
	56.95	36.82	44.28
	135	H	H14E	LNACL2	1	1
	57.81	35.5	44.03
	136	C	CB15	LNACL2	1	1
	57.56	37.12	42.78
	137	H	H15D	LNACL2	1	1
	56.9	38.16	42.78
	138	H	H15E	LNACL2	1	1
	57.1	36.12	42.37
	139	C	CB16	LNACL2	1	1
	58.54	36.92	41.91
	140	H	H16D	LNACL2	1	1
	58.7	35.85	41.77
	141	H	H16E	LNACL2	1	1
	59.18	37.6	42.42
	142	C	CB17	LNACL2	1	1
	57.97	37.31	40.97
	143	H	H17D	LNACL2	1	1
	56.94	37.75	41.21
	144	H	H17E	LNACL2	1	1
	56.85	36.75	40.94
	145	C	CB18	LNACL2	1	1
	58.88	38.04	39.59
	146	H	H18D	LNACL2	1	1
	59.25	39.08	39.65
	147	H	H18E	LNACL2	1	1
	58.38	38.43	38.62
	148	H	H18F	LNACL2	1	1
	59.57	37.36	39.4
	149	C	CC3	LNACL2	1	1
	46.53	37.97	55.06
	150	H	H3R	LNACL2	1	1
	46.81	38.72	54.27
	151	H	H3S	LNACL2	1	1
	45.58	38.32	55.47
	152	C	CC4	LNACL2	1	1
	46.34	36.59	54.42
	153	H	H4R	LNACL2	1	1
	45.3	36.36	54.7
	154	H	H4S	LNACL2	1	1
	46.98	35.8	54.88
	155	C	CC5	LNACL2	1	1
	46.37	36.67	52.88
	156	H	H5R	LNACL2	1	1
	45.55	37.38	52.63
	157	H	H5S	LNACL2	1	1
	46.09	35.76	52.3
	158	C	CC6	LNACL2	1	1
	47.71	37.17	52.32
	159	H	H6R	LNACL2	1	1
	48.01	38.13	52.79
	160	H	H6S	LNACL2	1	1
	47.53	37.4	51.26
	161	C	CC7	LNACL2	1	1
	48.93	36.22	52.48
	162	H	H7R	LNACL2	1	1
	49.17	35.98	53.55
	163	H	H7S	LNACL2	1	1
	49.78	36.83	52.12
	164	C	CC8	LNACL2	1	1
	48.91	34.91	51.67
	165	H	H8R	LNACL2	1	1
	48.22	34.16	52.12
	166	H	H8S	LNACL2	1	1
	49.95	34.51	51.7
	167	C	CC9	LNACL2	1	1
	48.44	35.1	50.26
	168	H	H9R	LNACL2	1	1
	47.36	35.33	50.2
	169	C	CC10	LNACL2	1	1
	49.13	35.01	49.12
	170	H	H10R	LNACL2	1	1
	48.59	35.22	48.19
	171	C	CC11	LNACL2	1	1
	50.59	34.68	48.92
	172	H	H11R	LNACL2	1	1
	50.75	34.17	47.95
	173	H	H11S	LNACL2	1	1
	50.93	33.95	49.69
	174	C	CC12	LNACL2	1	1
	51.42	35.95	48.99
	175	H	H12R	LNACL2	1	1
	51.78	36.2	50
	176	C	CC13	LNACL2	1	1
	51.73	36.76	47.96
	177	H	H13R	LNACL2	1	1
	52.36	37.64	48.17
	178	C	CC14	LNACL2	1	1
	51.31	36.57	46.52
	179	H	H14R	LNACL2	1	1
	50.97	35.52	46.38
	180	H	H14S	LNACL2	1	1
	52.22	36.66	45.88
	181	C	CC15	LNACL2	1	1
	50.13	37.4	45.94
	182	H	H15R	LNACL2	1	1
	50.38	38.45	45.67
	183	H	H15S	LNACL2	1	1
	49.29	37.43	46.68
	184	C	CC16	LNACL2	1	1
	49.49	36.72	44.73
	185	H	H16R	LNACL2	1	1
	49.38	35.64	45
	186	H	H16S	LNACL2	1	1
	48.49	37.16	44.54
	187	C	CC17	LNACL2	1	1
	50.33	36.91	43.47
	188	H	H17R	LNACL2	1	1
	51.35	36.56	43.7
	189	H	H17S	LNACL2	1	1
	50.4	38	43.24
	190	C	CC18	LNACL2	1	1
	49.84	36.21	42.2
	191	H	H18R	LNACL2	1	1
	49.99	35.12	42.26
	192	H	H18S	LNACL2	1	1
	48.76	36.39	41.98
	193	H	H18T	LNACL2	1	1
	50.48	36.58	41.37
	194	C	CD3	LNACL2	1	1
	50.41	39.94	51.75
	195	H	H3X	LNACL2	1	1
	49.35	40.1	52.02
	196	H	H3Y	LNACL2	1	1
	50.44	39.11	51
	197	C	CD4	LNACL2	1	1
	51.03	41.13	51.02
	198	H	H4X	LNACL2	1	1
	51.97	40.78	50.55
	199	H	H4Y	LNACL2	1	1
	51.29	41.96	51.71
	200	C	CD5	LNACL2	1	1
	50.15	41.76	49.96
	201	H	H5X	LNACL2	1	1
	49.18	42.05	50.45
	202	H	H5Y	LNACL2	1	1
	49.93	41.05	49.14
	203	C	CD6	LNACL2	1	1
	50.86	43.02	49.46
	204	H	H6X	LNACL2	1	1
	50.73	43.87	50.16
	205	H	H6Y	LNACL2	1	1
	50.42	43.38	48.56
	206	C	CD7	LNACL2	1	1
	52.24	42.93	48.8
	207	H	H7X	LNACL2	1	1
	53	42.82	49.59
	208	H	H7Y	LNACL2	1	1
	52.38	43.93	48.32
	209	C	CD8	LNACL2	1	1
	52.43	41.89	47.64
	210	H	H8X	LNACL2	1	1
	52.36	40.87	48.07
	211	H	H8Y	LNACL2	1	1
	53.48	42.05	47.35
	212	C	CD9	LNACL2	1	1
	51.58	41.93	46.38
	213	H	H9X	LNACL2	1	1
	50.51	42.12	46.54
	214	C	CD10	LNACL2	1	1
	51.98	41.7	45.11
	215	H	H10X	LNACL2	1	1
	51.23	41.75	44.3
	216	C	CD11	LNACL2	1	1
	53.36	41.36	44.65
	217	H	H11X	LNACL2	1	1
	54.08	41.58	45.43
	218	H	H11Y	LNACL2	1	1
	53.68	41.96	43.78
	219	C	CD12	LNACL2	1	1
	53.33	39.93	44.26
	220	H	H12X	LNACL2	1	1
	53.14	39.16	45.03
	221	C	CD13	LNACL2	1	1
	53.66	39.53	43.05
	222	H	H13X	LNACL2	1	1
	53.37	38.5	42.86
	223	C	CD14	LNACL2	1	1
	54.13	40.17	41.8
	224	H	H14X	LNACL2	1	1
	54.95	39.6	41.29
	225	H	H14Y	LNACL2	1	1
	54.48	41.19	41.99
	226	C	CD15	LNACL2	1	1
	52.94	40.13	40.93
	227	H	H15X	LNACL2	1	1
	53.1	40.75	40.03
	228	H	H15Y	LNACL2	1	1
	52.05	40.57	41.41
	229	C	CD16	LNACL2	1	1
	52.79	38.76	40.41
	230	H	H16X	LNACL2	1	1
	52.36	37.92	40.95
	231	H	H16Y	LNACL2	1	1
	53.73	38.51	39.83
	232	C	CD17	LNACL2	1	1
	51.81	39.01	39.44
	233	H	H17X	LNACL2	1	1
	52.45	38.67	38.57
	234	H	H17Y	LNACL2	1	1
	52.21	39.83	38.89
	235	C	CD18	LNACL2	1	1
	50.2	39	39.69
	236	H	H18X	LNACL2	1	1
	49.73	38.01	39.87
	237	H	H18Y	LNACL2	1	1
	49.5	39.06	38.82
	238	H	H18Z	LNACL2	1	1
	49.8	39.85	40.22

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

_cell.entry_id	LNACL2
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

