# --------------------------------------------------------------------------
#
# 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 LNBCL2.gro
#
#---------------------------------------------------------------------------

data_LNBCL2

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

_entry.id	LNBCL2

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

_chemical.entry_id	LNBCL2
_chemical.name_common	'LNBCL2'

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

_chemical_formula.entry_id	LNBCL2
_chemical_formula.structural	'C81H142O17P2'

###############
## 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	LNBCL2	1	1
	8.08	23.82	59.92
	2	H	HG31	LNBCL2	1	1
	8.91	24.54	59.74
	3	H	HG32	LNBCL2	1	1
	8.51	22.82	60.12
	4	P	P3	LNBCL2	1	1
	7.04	24.73	57.65
	5	O	OP33	LNBCL2	1	1
	5.63	25.04	57.36
	6	O	OP34	LNBCL2	1	1
	7.84	24.14	56.55
	7	O	OP31	LNBCL2	1	1
	7.17	23.71	58.84
	8	O	OP32	LNBCL2	1	1
	7.76	26.07	58.17
	9	C	C31	LNBCL2	1	1
	7.36	27.39	57.76
	10	H	H31J	LNBCL2	1	1
	6.26	27.55	57.76
	11	H	H31K	LNBCL2	1	1
	7.8	28.12	58.49
	12	C	C2	LNBCL2	1	1
	7.4	24.16	61.26
	13	H	HG22	LNBCL2	1	1
	8.11	23.83	62
	14	O	OG12	LNBCL2	1	1
	7.35	25.59	61.37
	15	H	HO12	LNBCL2	1	1
	6.71	25.77	62.05
	16	C	C1	LNBCL2	1	1
	6.01	23.48	61.5
	17	H	HG11	LNBCL2	1	1
	5.69	23.81	62.48
	18	H	HG12	LNBCL2	1	1
	6.12	22.36	61.52
	19	P	P1	LNBCL2	1	1
	3.92	23.05	59.94
	20	O	OP13	LNBCL2	1	1
	3.32	22.2	60.99
	21	O	OP14	LNBCL2	1	1
	2.88	23.85	59.26
	22	O	OP11	LNBCL2	1	1
	4.98	23.96	60.66
	23	O	OP12	LNBCL2	1	1
	4.71	22.12	58.97
	24	C	C11	LNBCL2	1	1
	4.65	20.71	58.99
	25	H	H11J	LNBCL2	1	1
	3.62	20.4	59.21
	26	H	H11K	LNBCL2	1	1
	5.29	20.37	59.82
	27	C	C12	LNBCL2	1	1
	5.1	20.14	57.6
	28	H	H12J	LNBCL2	1	1
	6.15	20.46	57.4
	29	O	O12	LNBCL2	1	1
	4.2	20.66	56.62
	30	C	CA1	LNBCL2	1	1
	4.68	21.43	55.67
	31	O	OA1	LNBCL2	1	1
	5.84	21.72	55.46
	32	C	CA2	LNBCL2	1	1
	3.49	21.68	54.73
	33	H	H2A	LNBCL2	1	1
	3.69	22.64	54.21
	34	H	H2B	LNBCL2	1	1
	2.59	21.82	55.36
	35	C	C13	LNBCL2	1	1
	5.11	18.59	57.45
	36	H	H13J	LNBCL2	1	1
	4.1	18.22	57.76
	37	H	H13K	LNBCL2	1	1
	5.82	18.1	58.13
	38	O	O13	LNBCL2	1	1
	5.33	18.2	56.07
	39	C	CB1	LNBCL2	1	1
	6.53	18.42	55.56
	40	O	OB1	LNBCL2	1	1
	7.54	18.66	56.19
	41	C	CB2	LNBCL2	1	1
	6.44	18.32	54.02
	42	H	H2D	LNBCL2	1	1
	5.37	18.37	53.73
	43	H	H2E	LNBCL2	1	1
	6.85	17.33	53.74
	44	C	C32	LNBCL2	1	1
	7.93	27.83	56.38
	45	H	H32J	LNBCL2	1	1
	7.74	28.92	56.27
	46	O	O32	LNBCL2	1	1
	7.32	27.16	55.25
	47	C	CC1	LNBCL2	1	1
	6.08	27.51	54.93
	48	O	OC1	LNBCL2	1	1
	5.43	28.37	55.49
	49	C	CC2	LNBCL2	1	1
	5.57	26.78	53.68
	50	H	H2R	LNBCL2	1	1
	6.23	26.95	52.81
	51	H	H2S	LNBCL2	1	1
	4.58	27.19	53.41
	52	C	C33	LNBCL2	1	1
	9.49	27.67	56.34
	53	H	H33J	LNBCL2	1	1
	9.8	28.26	55.49
	54	H	H33K	LNBCL2	1	1
	9.97	28.14	57.23
	55	O	O33	LNBCL2	1	1
	9.98	26.33	56.2
	56	C	CD1	LNBCL2	1	1
	10.16	25.92	54.95
	57	O	OD1	LNBCL2	1	1
	9.99	26.6	53.94
	58	C	CD2	LNBCL2	1	1
	10.76	24.52	55.01
	59	H	H2X	LNBCL2	1	1
	10.21	23.98	55.8
	60	H	H2Y	LNBCL2	1	1
	11.79	24.64	55.38
	61	C	CA3	LNBCL2	1	1
	3.22	20.54	53.71
	62	H	H3A	LNBCL2	1	1
	2.97	19.55	54.18
	63	H	H3B	LNBCL2	1	1
	4.11	20.37	53.09
	64	C	CA4	LNBCL2	1	1
	2.04	20.91	52.82
	65	H	H4A	LNBCL2	1	1
	2.19	21.85	52.28
	66	H	H4B	LNBCL2	1	1
	1.11	20.97	53.45
	67	C	CA5	LNBCL2	1	1
	1.78	19.9	51.74
	68	H	H5A	LNBCL2	1	1
	0.77	20.14	51.37
	69	H	H5B	LNBCL2	1	1
	1.79	18.99	52.32
	70	C	CA6	LNBCL2	1	1
	2.67	19.71	50.51
	71	H	H6A	LNBCL2	1	1
	3.63	19.33	50.91
	72	H	H6B	LNBCL2	1	1
	2.73	20.72	50.1
	73	C	CA7	LNBCL2	1	1
	2.12	18.83	49.35
	74	H	H7A	LNBCL2	1	1
	1.16	19.31	48.99
	75	H	H7B	LNBCL2	1	1
	1.93	17.79	49.7
	76	C	CA8	LNBCL2	1	1
	2.84	18.74	48.05
	77	H	H8A	LNBCL2	1	1
	2.69	19.73	47.6
	78	H	H8B	LNBCL2	1	1
	2.33	18.01	47.37
	79	C	CA9	LNBCL2	1	1
	4.26	18.42	48.35
	80	H	H9A	LNBCL2	1	1
	4.63	18.71	49.35
	81	C	CA10	LNBCL2	1	1
	5.06	17.79	47.5
	82	H	H10A	LNBCL2	1	1
	6.09	17.63	47.82
	83	C	CA11	LNBCL2	1	1
	4.67	17.31	46.11
	84	H	H11A	LNBCL2	1	1
	3.93	16.48	46.21
	85	H	H11B	LNBCL2	1	1
	5.57	16.87	45.65
	86	C	CA12	LNBCL2	1	1
	4.21	18.39	45.16
	87	H	H12A	LNBCL2	1	1
	4.59	19.39	45.39
	88	C	CA13	LNBCL2	1	1
	3.63	18.3	43.97
	89	H	H13A	LNBCL2	1	1
	3.32	19.22	43.47
	90	C	CA14	LNBCL2	1	1
	3.24	17.09	43.21
	91	H	H14A	LNBCL2	1	1
	2.26	17.43	43.1
	92	H	H14B	LNBCL2	1	1
	3.23	16.13	43.74
	93	C	CA15	LNBCL2	1	1
	3.62	16.85	41.76
	94	H	H15A	LNBCL2	1	1
	2.9	16.21	41.2
	95	H	H15B	LNBCL2	1	1
	4.57	16.3	41.81
	96	C	CA16	LNBCL2	1	1
	3.84	18.14	41.01
	97	H	H16A	LNBCL2	1	1
	4.93	18.24	41.16
	98	H	H16B	LNBCL2	1	1
	3.31	18.97	41.51
	99	C	CA17	LNBCL2	1	1
	3.52	18.1	39.53
	100	H	H17A	LNBCL2	1	1
	3.98	17.21	39.05
	101	H	H17B	LNBCL2	1	1
	4.07	18.97	39.13
	102	C	CA18	LNBCL2	1	1
	2.02	18.11	39.18
	103	H	H18A	LNBCL2	1	1
	1.6	17.16	39.44
	104	H	H18B	LNBCL2	1	1
	1.81	18.07	38.11
	105	H	H18C	LNBCL2	1	1
	1.43	18.99	39.54
	106	C	CB3	LNBCL2	1	1
	7.2	19.48	53.33
	107	H	H3D	LNBCL2	1	1
	8.18	19.67	53.81
	108	H	H3E	LNBCL2	1	1
	6.59	20.4	53.46
	109	C	CB4	LNBCL2	1	1
	7.43	19.37	51.81
	110	H	H4D	LNBCL2	1	1
	7.37	20.42	51.46
	111	H	H4E	LNBCL2	1	1
	6.61	18.76	51.38
	112	C	CB5	LNBCL2	1	1
	8.81	18.85	51.35
	113	H	H5D	LNBCL2	1	1
	8.78	17.74	51.41
	114	H	H5E	LNBCL2	1	1
	9.61	19.17	52.06
	115	C	CB6	LNBCL2	1	1
	9.22	19.32	49.93
	116	H	H6D	LNBCL2	1	1
	10.26	18.96	49.8
	117	H	H6E	LNBCL2	1	1
	9.25	20.43	49.8
	118	C	CB7	LNBCL2	1	1
	8.29	18.75	48.84
	119	H	H7D	LNBCL2	1	1
	7.34	19.3	49.02
	120	H	H7E	LNBCL2	1	1
	8.1	17.67	49.06
	121	C	CB8	LNBCL2	1	1
	8.66	18.94	47.35
	122	H	H8D	LNBCL2	1	1
	7.94	18.4	46.7
	123	H	H8E	LNBCL2	1	1
	9.64	18.47	47.13
	124	C	CB9	LNBCL2	1	1
	8.57	20.4	46.99
	125	H	H9D	LNBCL2	1	1
	7.67	20.91	47.36
	126	C	CB10	LNBCL2	1	1
	9.47	21.12	46.31
	127	H	H10D	LNBCL2	1	1
	9.26	22.18	46.08
	128	C	CB11	LNBCL2	1	1
	10.77	20.56	45.78
	129	H	H11D	LNBCL2	1	1
	10.92	19.5	46.06
	130	H	H11E	LNBCL2	1	1
	11.63	21.11	46.22
	131	C	CB12	LNBCL2	1	1
	10.73	20.63	44.28
	132	H	H12D	LNBCL2	1	1
	10.96	21.61	43.85
	133	C	CB13	LNBCL2	1	1
	10.42	19.63	43.42
	134	H	H13D	LNBCL2	1	1
	10.38	19.89	42.35
	135	C	CB14	LNBCL2	1	1
	10.04	18.2	43.69
	136	H	H14D	LNBCL2	1	1
	10.58	17.82	44.59
	137	H	H14E	LNBCL2	1	1
	10.43	17.58	42.85
	138	C	CB15	LNBCL2	1	1
	8.54	18.09	43.85
	139	H	H15D	LNBCL2	1	1
	8.02	18.86	44.39
	140	C	CB16	LNBCL2	1	1
	7.76	17.13	43.4
	141	H	H16D	LNBCL2	1	1
	6.66	17.07	43.45
	142	C	CB17	LNBCL2	1	1
	8.41	16.08	42.68
	143	H	H17D	LNBCL2	1	1
	7.92	15.17	43.08
	144	H	H17E	LNBCL2	1	1
	9.47	15.79	42.8
	145	C	CB18	LNBCL2	1	1
	8.19	16.74	41.3
	146	H	H18D	LNBCL2	1	1
	8.94	17.29	40.73
	147	H	H18E	LNBCL2	1	1
	7.16	16.77	40.84
	148	H	H18F	LNBCL2	1	1
	8.7	15.98	40.74
	149	C	CC3	LNBCL2	1	1
	5.44	25.28	53.96
	150	H	H3R	LNBCL2	1	1
	4.61	25.09	54.67
	151	H	H3S	LNBCL2	1	1
	6.37	24.95	54.5
	152	C	CC4	LNBCL2	1	1
	5.39	24.42	52.68
	153	H	H4R	LNBCL2	1	1
	5.35	23.37	53.01
	154	H	H4S	LNBCL2	1	1
	6.36	24.55	52.16
	155	C	CC5	LNBCL2	1	1
	4.27	24.71	51.64
	156	H	H5R	LNBCL2	1	1
	4.38	25.75	51.23
	157	H	H5S	LNBCL2	1	1
	3.28	24.62	52.12
	158	C	CC6	LNBCL2	1	1
	4.26	23.7	50.48
	159	H	H6R	LNBCL2	1	1
	3.7	22.79	50.82
	160	H	H6S	LNBCL2	1	1
	5.3	23.38	50.26
	161	C	CC7	LNBCL2	1	1
	3.61	24.21	49.19
	162	H	H7R	LNBCL2	1	1
	4.32	24.91	48.7
	163	H	H7S	LNBCL2	1	1
	2.7	24.8	49.45
	164	C	CC8	LNBCL2	1	1
	3.22	23.05	48.24
	165	H	H8R	LNBCL2	1	1
	2.46	23.37	47.49
	166	H	H8S	LNBCL2	1	1
	2.75	22.26	48.85
	167	C	CC9	LNBCL2	1	1
	4.42	22.45	47.58
	168	H	H9R	LNBCL2	1	1
	5.33	22.44	48.18
	169	C	CC10	LNBCL2	1	1
	4.5	21.99	46.32
	170	H	H10R	LNBCL2	1	1
	5.49	21.61	46.01
	171	C	CC11	LNBCL2	1	1
	3.41	21.99	45.29
	172	H	H11R	LNBCL2	1	1
	2.52	21.41	45.61
	173	H	H11S	LNBCL2	1	1
	3.78	21.35	44.47
	174	C	CC12	LNBCL2	1	1
	2.99	23.37	44.81
	175	H	H12R	LNBCL2	1	1
	2.4	24.01	45.47
	176	C	CC13	LNBCL2	1	1
	3.22	23.81	43.59
	177	H	H13R	LNBCL2	1	1
	3.02	24.86	43.27
	178	C	CC14	LNBCL2	1	1
	3.93	22.92	42.61
	179	H	H14R	LNBCL2	1	1
	4.37	21.96	42.87
	180	H	H14S	LNBCL2	1	1
	4.87	23.14	42.17
	181	C	CC15	LNBCL2	1	1
	3.19	23.03	41.4
	182	H	H15R	LNBCL2	1	1
	3.12	24.08	41
	183	H	H15S	LNBCL2	1	1
	2.16	22.66	41.63
	184	C	CC16	LNBCL2	1	1
	3.99	22.13	40.51
	185	H	H16R	LNBCL2	1	1
	4.7	22.65	39.8
	186	H	H16S	LNBCL2	1	1
	4.41	21.19	40.88
	187	C	CC17	LNBCL2	1	1
	3.06	21.52	39.76
	188	H	H17R	LNBCL2	1	1
	2.33	20.72	40.15
	189	H	H17S	LNBCL2	1	1
	3.8	21.2	39.03
	190	C	CC18	LNBCL2	1	1
	2.57	22.66	39.19
	191	H	H18R	LNBCL2	1	1
	2.82	22.96	38.12
	192	H	H18S	LNBCL2	1	1
	1.59	22.06	39.44
	193	H	H18T	LNBCL2	1	1
	2.08	23.56	39.54
	194	C	CD3	LNBCL2	1	1
	10.73	23.73	53.68
	195	H	H3X	LNBCL2	1	1
	11.2	22.73	53.82
	196	H	H3Y	LNBCL2	1	1
	11.35	24.25	52.91
	197	C	CD4	LNBCL2	1	1
	9.31	23.46	53.15
	198	H	H4X	LNBCL2	1	1
	8.65	24.34	53.33
	199	H	H4Y	LNBCL2	1	1
	8.89	22.61	53.75
	200	C	CD5	LNBCL2	1	1
	9.38	23.08	51.66
	201	H	H5X	LNBCL2	1	1
	8.47	22.55	51.32
	202	H	H5Y	LNBCL2	1	1
	10.22	22.36	51.59
	203	C	CD6	LNBCL2	1	1
	9.63	24.25	50.67
	204	H	H6X	LNBCL2	1	1
	9.94	23.8	49.7
	205	H	H6Y	LNBCL2	1	1
	10.45	24.9	51.02
	206	C	CD7	LNBCL2	1	1
	8.35	25.05	50.37
	207	H	H7X	LNBCL2	1	1
	7.97	25.56	51.28
	208	H	H7Y	LNBCL2	1	1
	7.59	24.29	50.06
	209	C	CD8	LNBCL2	1	1
	8.52	26.11	49.26
	210	H	H8X	LNBCL2	1	1
	9.17	25.7	48.45
	211	H	H8Y	LNBCL2	1	1
	9.09	26.97	49.67
	212	C	CD9	LNBCL2	1	1
	7.17	26.57	48.76
	213	H	H9X	LNBCL2	1	1
	6.48	26.95	49.53
	214	C	CD10	LNBCL2	1	1
	6.72	26.6	47.48
	215	H	H10X	LNBCL2	1	1
	5.75	27.04	47.26
	216	C	CD11	LNBCL2	1	1
	7.41	26.2	46.22
	217	H	H11X	LNBCL2	1	1
	8.51	26.15	46.33
	218	H	H11Y	LNBCL2	1	1
	7.17	27.02	45.5
	219	C	CD12	LNBCL2	1	1
	7.09	24.86	45.67
	220	H	H12X	LNBCL2	1	1
	6.26	24.29	46.14
	221	C	CD13	LNBCL2	1	1
	7.58	24.45	44.49
	222	H	H13X	LNBCL2	1	1
	7.17	23.49	44.15
	223	C	CD14	LNBCL2	1	1
	8.49	25.17	43.44
	224	H	H14X	LNBCL2	1	1
	9.54	24.99	43.64
	225	H	H14Y	LNBCL2	1	1
	8.4	26.27	43.61
	226	C	CD15	LNBCL2	1	1
	8.55	24.85	41.87
	227	H	H15X	LNBCL2	1	1
	9.11	25.4	41.09
	228	H	H15Y	LNBCL2	1	1
	7.66	24.95	41.3
	229	C	CD16	LNBCL2	1	1
	8.21	23.56	41.33
	230	H	H16X	LNBCL2	1	1
	7.66	22.94	42.02
	231	H	H16Y	LNBCL2	1	1
	9.21	23.35	41.15
	232	C	CD17	LNBCL2	1	1
	7.63	23.46	39.98
	233	H	H17X	LNBCL2	1	1
	8.11	24.21	39.26
	234	H	H17Y	LNBCL2	1	1
	6.56	23.67	39.84
	235	C	CD18	LNBCL2	1	1
	8.04	21.99	39.87
	236	H	H18X	LNBCL2	1	1
	7.49	21.2	40.36
	237	H	H18Y	LNBCL2	1	1
	9.06	21.92	39.39
	238	H	H18Z	LNBCL2	1	1
	7.44	21.47	39.13

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

_cell.entry_id	LNBCL2
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

