# --------------------------------------------------------------------------
#
# 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 LNBCL1.gro
#
#---------------------------------------------------------------------------

data_LNBCL1

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

_entry.id	LNBCL1

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

_chemical.entry_id	LNBCL1
_chemical.name_common	'LNBCL1'

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

_chemical_formula.entry_id	LNBCL1
_chemical_formula.structural	'C81H146O17P2'

###############
## 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	LNBCL1	1	1
	40.36	40.92	60.24
	2	H	HG31	LNBCL1	1	1
	40.1	41.15	59.19
	3	H	HG32	LNBCL1	1	1
	41.43	41.19	60.46
	4	P	P3	LNBCL1	1	1
	40.91	38.38	59.7
	5	O	OP33	LNBCL1	1	1
	40.73	37.05	60.37
	6	O	OP34	LNBCL1	1	1
	42.32	38.76	59.49
	7	O	OP31	LNBCL1	1	1
	40.11	39.53	60.46
	8	O	OP32	LNBCL1	1	1
	40.22	38.32	58.3
	9	C	C31	LNBCL1	1	1
	38.97	38.85	57.89
	10	H	H31J	LNBCL1	1	1
	38.17	38.65	58.64
	11	H	H31K	LNBCL1	1	1
	39.03	39.96	57.8
	12	C	C2	LNBCL1	1	1
	39.44	41.77	61.13
	13	H	HG22	LNBCL1	1	1
	38.42	41.31	61.11
	14	O	OG12	LNBCL1	1	1
	39.97	41.8	62.46
	15	H	HO12	LNBCL1	1	1
	39.35	42.29	62.98
	16	C	C1	LNBCL1	1	1
	39.21	43.22	60.64
	17	H	HG11	LNBCL1	1	1
	40.16	43.81	60.58
	18	H	HG12	LNBCL1	1	1
	38.58	43.67	61.45
	19	P	P1	LNBCL1	1	1
	38.03	44.62	58.92
	20	O	OP13	LNBCL1	1	1
	37.01	44.52	57.73
	21	H	HP13	LNBCL1	1	1
	36.2	44.01	57.82
	22	O	OP14	LNBCL1	1	1
	37.47	45.38	60.05
	23	O	OP11	LNBCL1	1	1
	38.49	43.2	59.39
	24	O	OP12	LNBCL1	1	1
	39.37	45.29	58.41
	25	C	C11	LNBCL1	1	1
	40.49	44.53	57.96
	26	H	H11J	LNBCL1	1	1
	40.36	43.43	58.08
	27	H	H11K	LNBCL1	1	1
	41.34	44.85	58.6
	28	C	C12	LNBCL1	1	1
	40.88	44.8	56.47
	29	H	H12J	LNBCL1	1	1
	41.02	45.89	56.34
	30	O	O12	LNBCL1	1	1
	39.82	44.31	55.61
	31	C	CA1	LNBCL1	1	1
	39.85	44.7	54.34
	32	O	OA1	LNBCL1	1	1
	40.69	45.43	53.84
	33	C	CA2	LNBCL1	1	1
	38.64	44.14	53.58
	34	H	H2A	LNBCL1	1	1
	37.8	43.97	54.29
	35	H	H2B	LNBCL1	1	1
	38.94	43.2	53.09
	36	C	C13	LNBCL1	1	1
	42.26	44.17	56.09
	37	H	H13J	LNBCL1	1	1
	43.04	44.64	56.72
	38	H	H13K	LNBCL1	1	1
	42.52	44.44	55.04
	39	O	O13	LNBCL1	1	1
	42.18	42.75	56.25
	40	C	CB1	LNBCL1	1	1
	43.14	42.1	56.92
	41	O	OB1	LNBCL1	1	1
	44.05	42.66	57.52
	42	C	CB2	LNBCL1	1	1
	42.93	40.61	56.71
	43	H	H2D	LNBCL1	1	1
	41.86	40.38	56.54
	44	H	H2E	LNBCL1	1	1
	43.29	40.03	57.6
	45	C	C32	LNBCL1	1	1
	38.63	38.26	56.5
	46	H	H32J	LNBCL1	1	1
	37.91	37.41	56.7
	47	O	O32	LNBCL1	1	1
	39.93	37.84	55.95
	48	C	CC1	LNBCL1	1	1
	39.72	37.05	54.96
	49	O	OC1	LNBCL1	1	1
	38.6	36.86	54.53
	50	C	CC2	LNBCL1	1	1
	40.96	36.19	54.61
	51	H	H2R	LNBCL1	1	1
	40.74	35.15	54.25
	52	H	H2S	LNBCL1	1	1
	41.52	36.03	55.55
	53	C	C33	LNBCL1	1	1
	37.89	39.31	55.58
	54	H	H33J	LNBCL1	1	1
	37.08	39.8	56.16
	55	H	H33K	LNBCL1	1	1
	38.68	40.05	55.33
	56	O	O33	LNBCL1	1	1
	37.24	38.77	54.42
	57	C	CD1	LNBCL1	1	1
	37	39.54	53.42
	58	O	OD1	LNBCL1	1	1
	37.31	40.71	53.33
	59	C	CD2	LNBCL1	1	1
	36.24	38.73	52.38
	60	H	H2X	LNBCL1	1	1
	35.4	39.27	51.94
	61	H	H2Y	LNBCL1	1	1
	35.85	37.76	52.8
	62	C	CA3	LNBCL1	1	1
	38.15	45.15	52.54
	63	H	H3A	LNBCL1	1	1
	38.97	45.44	51.85
	64	H	H3B	LNBCL1	1	1
	37.82	46.02	53.14
	65	C	CA4	LNBCL1	1	1
	36.96	44.67	51.7
	66	H	H4A	LNBCL1	1	1
	36.13	44.32	52.36
	67	H	H4B	LNBCL1	1	1
	37.35	43.81	51.12
	68	C	CA5	LNBCL1	1	1
	36.42	45.75	50.75
	69	H	H5A	LNBCL1	1	1
	37.28	46.18	50.2
	70	H	H5B	LNBCL1	1	1
	35.96	46.56	51.36
	71	C	CA6	LNBCL1	1	1
	35.45	45.24	49.67
	72	H	H6A	LNBCL1	1	1
	35.07	46.09	49.05
	73	H	H6B	LNBCL1	1	1
	34.58	44.75	50.15
	74	C	CA7	LNBCL1	1	1
	36.11	44.21	48.74
	75	H	H7A	LNBCL1	1	1
	36.24	43.31	49.37
	76	H	H7B	LNBCL1	1	1
	37.13	44.5	48.39
	77	C	CA8	LNBCL1	1	1
	35.23	43.91	47.53
	78	H	H8A	LNBCL1	1	1
	35.18	44.81	46.87
	79	H	H8B	LNBCL1	1	1
	34.2	43.73	47.93
	80	C	CA9	LNBCL1	1	1
	35.74	42.7	46.81
	81	H	H9A	LNBCL1	1	1
	35.97	41.84	47.44
	82	C	CA10	LNBCL1	1	1
	35.96	42.56	45.51
	83	H	H10A	LNBCL1	1	1
	36.29	41.57	45.17
	84	C	CA11	LNBCL1	1	1
	35.74	43.59	44.43
	85	H	H11A	LNBCL1	1	1
	36.68	43.8	43.88
	86	H	H11B	LNBCL1	1	1
	35.22	44.51	44.71
	87	C	CA12	LNBCL1	1	1
	34.76	43.04	43.52
	88	H	H12A	LNBCL1	1	1
	33.71	43.32	43.5
	89	C	CA13	LNBCL1	1	1
	35.08	42.19	42.67
	90	H	H13A	LNBCL1	1	1
	34.11	41.66	42.68
	91	C	CA14	LNBCL1	1	1
	36.45	41.62	42.48
	92	H	H14A	LNBCL1	1	1
	37.27	41.72	43.22
	93	H	H14B	LNBCL1	1	1
	36.92	41.83	41.48
	94	C	CA15	LNBCL1	1	1
	35.88	40.3	42.56
	95	H	H15A	LNBCL1	1	1
	35.53	39.5	43.2
	96	H	H15B	LNBCL1	1	1
	36.99	39.83	42.59
	97	C	CA16	LNBCL1	1	1
	34.56	40.14	41.41
	98	H	H16A	LNBCL1	1	1
	33.6	39.96	41.7
	99	H	H16B	LNBCL1	1	1
	34.28	39.17	41.09
	100	C	CA17	LNBCL1	1	1
	34.63	40.52	40.04
	101	H	H17A	LNBCL1	1	1
	35.09	39.67	39.54
	102	H	H17B	LNBCL1	1	1
	35.35	41.32	40.15
	103	C	CA18	LNBCL1	1	1
	34.17	39.74	38.96
	104	H	H18A	LNBCL1	1	1
	34.25	38.53	38.78
	105	H	H18B	LNBCL1	1	1
	34.18	40.25	38
	106	H	H18C	LNBCL1	1	1
	33.27	40.14	39.15
	107	C	CB3	LNBCL1	1	1
	43.76	40.17	55.5
	108	H	H3D	LNBCL1	1	1
	43.89	39.08	55.64
	109	H	H3E	LNBCL1	1	1
	44.74	40.69	55.55
	110	C	CB4	LNBCL1	1	1
	43.19	40.35	54.08
	111	H	H4D	LNBCL1	1	1
	42.1	40.17	54.04
	112	H	H4E	LNBCL1	1	1
	43.67	39.54	53.47
	113	C	CB5	LNBCL1	1	1
	43.48	41.7	53.39
	114	H	H5D	LNBCL1	1	1
	44.44	42.16	53.73
	115	H	H5E	LNBCL1	1	1
	42.67	42.39	53.68
	116	C	CB6	LNBCL1	1	1
	43.48	41.48	51.87
	117	H	H6D	LNBCL1	1	1
	42.61	40.84	51.63
	118	H	H6E	LNBCL1	1	1
	44.39	40.88	51.62
	119	C	CB7	LNBCL1	1	1
	43.44	42.72	50.95
	120	H	H7D	LNBCL1	1	1
	43.51	42.36	49.9
	121	H	H7E	LNBCL1	1	1
	44.36	43.33	51.11
	122	C	CB8	LNBCL1	1	1
	42.13	43.56	50.99
	123	H	H8D	LNBCL1	1	1
	42.22	44.39	50.25
	124	H	H8E	LNBCL1	1	1
	42.04	44.02	52
	125	C	CB9	LNBCL1	1	1
	40.89	42.73	50.76
	126	H	H9D	LNBCL1	1	1
	40.61	42.12	51.63
	127	C	CB10	LNBCL1	1	1
	40.07	42.68	49.69
	128	H	H10D	LNBCL1	1	1
	39.3	41.91	49.74
	129	C	CB11	LNBCL1	1	1
	40.1	43.43	48.37
	130	H	H11D	LNBCL1	1	1
	41.13	43.79	48.14
	131	H	H11E	LNBCL1	1	1
	39.51	44.38	48.45
	132	C	CB12	LNBCL1	1	1
	39.45	42.62	47.26
	133	H	H12D	LNBCL1	1	1
	38.71	41.86	47.56
	134	C	CB13	LNBCL1	1	1
	39.57	42.82	45.95
	135	H	H13D	LNBCL1	1	1
	38.95	42.21	45.26
	136	C	CB14	LNBCL1	1	1
	40.4	43.92	45.33
	137	H	H14D	LNBCL1	1	1
	41.11	43.48	44.61
	138	H	H14E	LNBCL1	1	1
	41.05	44.42	46.09
	139	C	CB15	LNBCL1	1	1
	39.46	44.92	44.71
	140	H	H15D	LNBCL1	1	1
	38.76	45.4	45.41
	141	C	CB16	LNBCL1	1	1
	39.43	45.26	43.41
	142	H	H16D	LNBCL1	1	1
	38.68	45.98	43.03
	143	C	CB17	LNBCL1	1	1
	40.34	44.69	42.35
	144	H	H17D	LNBCL1	1	1
	41.05	43.94	42.75
	145	H	H17E	LNBCL1	1	1
	40.95	45.52	41.95
	146	C	CB18	LNBCL1	1	1
	39.49	44.04	41.26
	147	H	H18D	LNBCL1	1	1
	40.09	43.56	40.46
	148	H	H18E	LNBCL1	1	1
	38.8	44.76	40.78
	149	H	H18F	LNBCL1	1	1
	38.9	43.24	41.75
	150	C	CC3	LNBCL1	1	1
	41.85	36.86	53.61
	151	H	H3R	LNBCL1	1	1
	42.8	36.3	53.55
	152	H	H3S	LNBCL1	1	1
	42.09	37.86	54.01
	153	C	CC4	LNBCL1	1	1
	41.2	36.83	52.23
	154	H	H4R	LNBCL1	1	1
	40.29	37.45	52.26
	155	H	H4S	LNBCL1	1	1
	40.92	35.78	51.96
	156	C	CC5	LNBCL1	1	1
	42.13	37.36	51.15
	157	H	H5R	LNBCL1	1	1
	43.06	36.75	51.16
	158	H	H5S	LNBCL1	1	1
	42.4	38.42	51.36
	159	C	CC6	LNBCL1	1	1
	41.57	37.21	49.74
	160	H	H6R	LNBCL1	1	1
	40.74	37.92	49.56
	161	H	H6S	LNBCL1	1	1
	41.14	36.18	49.66
	162	C	CC7	LNBCL1	1	1
	42.71	37.35	48.71
	163	H	H7R	LNBCL1	1	1
	42.38	36.84	47.78
	164	H	H7S	LNBCL1	1	1
	43.59	36.77	49.08
	165	C	CC8	LNBCL1	1	1
	43.14	38.79	48.37
	166	H	H8R	LNBCL1	1	1
	43.98	38.74	47.65
	167	H	H8S	LNBCL1	1	1
	43.51	39.36	49.25
	168	C	CC9	LNBCL1	1	1
	41.99	39.55	47.78
	169	H	H9R	LNBCL1	1	1
	41.3	40	48.51
	170	C	CC10	LNBCL1	1	1
	41.8	39.77	46.47
	171	H	H10R	LNBCL1	1	1
	40.87	40.27	46.18
	172	C	CC11	LNBCL1	1	1
	42.67	39.34	45.31
	173	H	H11R	LNBCL1	1	1
	42.08	38.74	44.57
	174	H	H11S	LNBCL1	1	1
	43.52	38.69	45.61
	175	C	CC12	LNBCL1	1	1
	43.28	40.6	44.75
	176	H	H12R	LNBCL1	1	1
	43.7	41.29	45.47
	177	C	CC13	LNBCL1	1	1
	43.21	41.03	43.51
	178	H	H13R	LNBCL1	1	1
	43.72	41.94	43.13
	179	C	CC14	LNBCL1	1	1
	42.52	40.29	42.5
	180	H	H14R	LNBCL1	1	1
	42.51	39.17	42.59
	181	H	H14S	LNBCL1	1	1
	43.39	40.53	41.86
	182	C	CC15	LNBCL1	1	1
	41.13	40.81	42.04
	183	H	H15R	LNBCL1	1	1
	40.51	40.73	42.96
	184	H	H15S	LNBCL1	1	1
	41.21	41.89	41.8
	185	C	CC16	LNBCL1	1	1
	40.34	40.06	40.9
	186	H	H16R	LNBCL1	1	1
	40.36	38.97	41.15
	187	H	H16S	LNBCL1	1	1
	39.27	40.32	40.95
	188	C	CC17	LNBCL1	1	1
	40.7	40.46	39.43
	189	H	H17R	LNBCL1	1	1
	41.54	40.05	38.94
	190	H	H17S	LNBCL1	1	1
	41.03	41.5	39.4
	191	C	CC18	LNBCL1	1	1
	39.97	39.94	38.24
	192	H	H18R	LNBCL1	1	1
	39.88	38.84	38.11
	193	H	H18S	LNBCL1	1	1
	40.45	40.39	37.34
	194	H	H18T	LNBCL1	1	1
	39.03	40.37	38.39
	195	C	CD3	LNBCL1	1	1
	37.28	38.36	51.36
	196	H	H3X	LNBCL1	1	1
	36.8	37.69	50.72
	197	H	H3Y	LNBCL1	1	1
	38.12	37.82	51.85
	198	C	CD4	LNBCL1	1	1
	37.76	39.33	50.31
	199	H	H4X	LNBCL1	1	1
	38.51	38.81	49.67
	200	H	H4Y	LNBCL1	1	1
	38.15	40.19	50.83
	201	C	CD5	LNBCL1	1	1
	36.82	40	49.38
	202	H	H5X	LNBCL1	1	1
	37.39	40.72	48.78
	203	H	H5Y	LNBCL1	1	1
	35.94	40.52	49.87
	204	C	CD6	LNBCL1	1	1
	36.46	39.12	48.27
	205	H	H6X	LNBCL1	1	1
	35.56	39.82	48.22
	206	H	H6Y	LNBCL1	1	1
	36.29	38.04	48.46
	207	C	CD7	LNBCL1	1	1
	37.05	39.05	46.86
	208	H	H7X	LNBCL1	1	1
	37.05	40.07	46.48
	209	H	H7Y	LNBCL1	1	1
	36.44	38.57	46.04
	210	C	CD8	LNBCL1	1	1
	38.18	38.14	46.85
	211	H	H8X	LNBCL1	1	1
	37.82	37.11	47.16
	212	H	H8Y	LNBCL1	1	1
	38.87	38.52	47.61
	213	C	CD9	LNBCL1	1	1
	38.72	38.47	45.49
	214	H	H9X	LNBCL1	1	1
	39.2	39.44	45.44
	215	C	CD10	LNBCL1	1	1
	38.45	38.02	44.3
	216	H	H10X	LNBCL1	1	1
	39.23	38.2	43.53
	217	C	CD11	LNBCL1	1	1
	37.53	36.97	43.84
	218	H	H11X	LNBCL1	1	1
	37.13	35.97	44.41
	219	H	H11Y	LNBCL1	1	1
	38.36	36.66	43.13
	220	C	CD12	LNBCL1	1	1
	36.29	36.98	43.32
	221	H	H12X	LNBCL1	1	1
	35.63	36.91	44.24
	222	C	CD13	LNBCL1	1	1
	36.28	36.49	42.04
	223	H	H13X	LNBCL1	1	1
	35.37	36.1	41.84
	224	C	CD14	LNBCL1	1	1
	37.45	35.93	41
	225	H	H14X	LNBCL1	1	1
	37.09	35.05	40.51
	226	H	H14Y	LNBCL1	1	1
	38.25	35.06	41.08
	227	C	CD15	LNBCL1	1	1
	38.54	36.75	40.47
	228	H	H15X	LNBCL1	1	1
	38.85	37.35	41.32
	229	H	H15Y	LNBCL1	1	1
	38.12	37.41	39.78
	230	C	CD16	LNBCL1	1	1
	39.48	36.03	39.56
	231	H	H16X	LNBCL1	1	1
	40.06	35.47	40.32
	232	H	H16Y	LNBCL1	1	1
	40.01	36.83	39.03
	233	C	CD17	LNBCL1	1	1
	38.99	35.01	38.53
	234	H	H17X	LNBCL1	1	1
	38.6	34.09	39.02
	235	H	H17Y	LNBCL1	1	1
	39.85	34.69	37.94
	236	C	CD18	LNBCL1	1	1
	38.34	35.41	37.24
	237	H	H18X	LNBCL1	1	1
	38.01	36.43	37.08
	238	H	H18Y	LNBCL1	1	1
	37.36	35.15	37.39
	239	H	H18Z	LNBCL1	1	1
	38.02	34.6	36.62

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

_cell.entry_id	LNBCL1
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

