# --------------------------------------------------------------------------
#
# 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 PMCL1.gro
#
#---------------------------------------------------------------------------

data_PMCL1

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

_entry.id	PMCL1

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

_chemical.entry_id	PMCL1
_chemical.name_common	'PMCL1'

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

_chemical_formula.entry_id	PMCL1
_chemical_formula.structural	'C74H146O17P2'

###############
## 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	PMCL1	1	1
	24.58	77.49	56.33
	2	H	HG31	PMCL1	1	1
	25.51	78.03	56.62
	3	H	HG32	PMCL1	1	1
	24.76	76.84	55.44
	4	P	P3	PMCL1	1	1
	23.86	75.24	57.67
	5	O	OP33	PMCL1	1	1
	24.64	74.88	58.86
	6	O	OP34	PMCL1	1	1
	22.4	75.02	57.72
	7	O	OP31	PMCL1	1	1
	24.04	76.79	57.45
	8	O	OP32	PMCL1	1	1
	24.49	74.64	56.38
	9	C	C31	PMCL1	1	1
	24.79	73.26	56.25
	10	H	H31J	PMCL1	1	1
	23.86	72.63	56.22
	11	H	H31K	PMCL1	1	1
	25.41	72.88	57.1
	12	C	C2	PMCL1	1	1
	23.54	78.52	55.88
	13	H	HG22	PMCL1	1	1
	22.66	77.97	55.5
	14	O	OG12	PMCL1	1	1
	24	79.4	54.84
	15	H	HO12	PMCL1	1	1
	23.19	79.77	54.47
	16	C	C1	PMCL1	1	1
	22.93	79.3	57.03
	17	H	HG11	PMCL1	1	1
	23.73	80.07	57.27
	18	H	HG12	PMCL1	1	1
	22.75	78.73	57.95
	19	P	P1	PMCL1	1	1
	20.26	79.32	56.52
	20	O	OP13	PMCL1	1	1
	19.41	79.77	57.66
	21	H	HP13	PMCL1	1	1
	19.78	80.31	58.36
	22	O	OP14	PMCL1	1	1
	19.38	79.66	55.41
	23	O	OP11	PMCL1	1	1
	21.71	79.84	56.53
	24	O	OP12	PMCL1	1	1
	20.4	77.86	57.03
	25	C	C11	PMCL1	1	1
	19.29	76.98	57.02
	26	H	H11J	PMCL1	1	1
	18.33	77.5	57.26
	27	H	H11K	PMCL1	1	1
	19.42	76.29	57.88
	28	C	C12	PMCL1	1	1
	19.24	76.14	55.65
	29	H	H12J	PMCL1	1	1
	18.74	77.15	55.5
	30	O	O12	PMCL1	1	1
	20.09	76.64	54.59
	31	C	CA1	PMCL1	1	1
	20.99	75.74	54.15
	32	O	OA1	PMCL1	1	1
	21.07	74.62	54.59
	33	C	CA2	PMCL1	1	1
	21.88	76.36	53.03
	34	H	H2A	PMCL1	1	1
	22.59	77.08	53.49
	35	H	H2B	PMCL1	1	1
	21.24	76.91	52.32
	36	C	C13	PMCL1	1	1
	17.85	75.78	54.95
	37	H	H13J	PMCL1	1	1
	17.04	75.89	55.7
	38	H	H13K	PMCL1	1	1
	17.86	74.69	54.68
	39	O	O13	PMCL1	1	1
	17.53	76.62	53.81
	40	C	CB1	PMCL1	1	1
	17.97	76.16	52.65
	41	O	OB1	PMCL1	1	1
	18.3	75.01	52.42
	42	C	CB2	PMCL1	1	1
	18	77.3	51.64
	43	H	H2D	PMCL1	1	1
	16.97	77.49	51.31
	44	H	H2E	PMCL1	1	1
	18.6	76.93	50.79
	45	C	C32	PMCL1	1	1
	25.65	73.1	54.97
	46	H	H32J	PMCL1	1	1
	24.68	73.59	54.62
	47	O	O32	PMCL1	1	1
	26.21	74.18	54.32
	48	C	CC1	PMCL1	1	1
	27.49	74.08	54.2
	49	O	OC1	PMCL1	1	1
	28.19	73.1	54.31
	50	C	CC2	PMCL1	1	1
	27.89	75.5	53.89
	51	H	H2R	PMCL1	1	1
	28.81	75.72	54.46
	52	H	H2S	PMCL1	1	1
	27.09	76.15	54.33
	53	C	C33	PMCL1	1	1
	25.25	72.4	53.8
	54	H	H33J	PMCL1	1	1
	26.17	71.74	53.64
	55	H	H33K	PMCL1	1	1
	24.95	72.86	52.85
	56	O	O33	PMCL1	1	1
	24.1	71.71	54.1
	57	C	CD1	PMCL1	1	1
	22.84	71.64	53.7
	58	O	OD1	PMCL1	1	1
	22.3	72.59	53.2
	59	C	CD2	PMCL1	1	1
	22.06	70.31	53.85
	60	H	H2X	PMCL1	1	1
	21.79	70.12	54.91
	61	H	H2Y	PMCL1	1	1
	22.45	69.28	53.62
	62	C	CA3	PMCL1	1	1
	22.77	75.4	52.21
	63	H	H3A	PMCL1	1	1
	23.26	74.68	52.9
	64	H	H3B	PMCL1	1	1
	23.56	76.01	51.71
	65	C	CA4	PMCL1	1	1
	22.11	74.65	51.04
	66	H	H4A	PMCL1	1	1
	21.42	73.87	51.39
	67	H	H4B	PMCL1	1	1
	22.9	74.1	50.51
	68	C	CA5	PMCL1	1	1
	21.39	75.57	50.07
	69	H	H5A	PMCL1	1	1
	21.82	76.59	50.07
	70	H	H5B	PMCL1	1	1
	20.35	75.61	50.45
	71	C	CA6	PMCL1	1	1
	21.37	75.11	48.61
	72	H	H6A	PMCL1	1	1
	21.21	74.02	48.58
	73	H	H6B	PMCL1	1	1
	22.34	75.26	48.1
	74	C	CA7	PMCL1	1	1
	20.26	75.88	47.89
	75	H	H7A	PMCL1	1	1
	19.34	75.84	48.52
	76	H	H7B	PMCL1	1	1
	20.03	75.43	46.91
	77	C	CA8	PMCL1	1	1
	20.58	77.37	47.71
	78	H	H8A	PMCL1	1	1
	21.56	77.52	47.24
	79	H	H8B	PMCL1	1	1
	20.64	77.9	48.69
	80	C	CA9	PMCL1	1	1
	19.52	77.97	46.82
	81	H	H9A	PMCL1	1	1
	18.49	78.02	47.23
	82	C	CA17	PMCL1	1	1
	20.07	79.13	46
	83	H	H17A	PMCL1	1	1
	19.44	79.99	45.96
	84	H	H17B	PMCL1	1	1
	21.11	79.29	46.15
	85	C	CA10	PMCL1	1	1
	19.62	77.84	45.31
	86	H	H10A	PMCL1	1	1
	18.71	77.92	44.71
	87	C	CA11	PMCL1	1	1
	20.66	76.97	44.65
	88	H	H11A	PMCL1	1	1
	21.57	76.85	45.27
	89	H	H11B	PMCL1	1	1
	20.18	75.97	44.5
	90	C	CA12	PMCL1	1	1
	21.04	77.5	43.25
	91	H	H12A	PMCL1	1	1
	20.23	78.03	42.74
	92	H	H12B	PMCL1	1	1
	21.13	76.7	42.55
	93	C	CA13	PMCL1	1	1
	22.35	78.28	43.31
	94	H	H13A	PMCL1	1	1
	23.09	77.66	43.87
	95	H	H13B	PMCL1	1	1
	22.18	79.2	43.89
	96	C	CA14	PMCL1	1	1
	22.97	78.65	41.95
	97	H	H14A	PMCL1	1	1
	22.21	79.06	41.25
	98	H	H14B	PMCL1	1	1
	23.37	77.72	41.49
	99	C	CA15	PMCL1	1	1
	24.08	79.7	42.07
	100	H	H15A	PMCL1	1	1
	24.9	79.35	42.74
	101	H	H15B	PMCL1	1	1
	23.71	80.66	42.5
	102	C	CA16	PMCL1	1	1
	24.66	79.97	40.7
	103	H	H16A	PMCL1	1	1
	25.47	80.73	40.79
	104	H	H16B	PMCL1	1	1
	23.9	80.37	40
	105	H	H16C	PMCL1	1	1
	25.04	79.01	40.29
	106	C	CB3	PMCL1	1	1
	18.71	78.56	52.21
	107	H	H3D	PMCL1	1	1
	19.72	78.22	52.51
	108	H	H3E	PMCL1	1	1
	18.17	78.98	53.09
	109	C	CB4	PMCL1	1	1
	18.91	79.71	51.23
	110	H	H4D	PMCL1	1	1
	17.95	80.26	51.21
	111	H	H4E	PMCL1	1	1
	19.12	79.36	50.2
	112	C	CB5	PMCL1	1	1
	20.04	80.71	51.61
	113	H	H5D	PMCL1	1	1
	19.74	81.26	52.53
	114	H	H5E	PMCL1	1	1
	20.07	81.43	50.77
	115	C	CB6	PMCL1	1	1
	21.47	80.18	51.84
	116	H	H6D	PMCL1	1	1
	21.48	79.26	52.45
	117	H	H6E	PMCL1	1	1
	22.06	80.93	52.42
	118	C	CB7	PMCL1	1	1
	22.21	79.87	50.53
	119	H	H7D	PMCL1	1	1
	22.35	80.77	49.88
	120	H	H7E	PMCL1	1	1
	21.56	79.18	49.97
	121	C	CB8	PMCL1	1	1
	23.57	79.22	50.77
	122	H	H8D	PMCL1	1	1
	23.43	78.15	51.04
	123	H	H8E	PMCL1	1	1
	24.05	79.76	51.63
	124	C	CB9	PMCL1	1	1
	24.48	79.29	49.53
	125	H	H9D	PMCL1	1	1
	25.52	79.04	49.81
	126	H	H9E	PMCL1	1	1
	24.46	80.34	49.19
	127	C	CB10	PMCL1	1	1
	24.05	78.37	48.37
	128	H	H10D	PMCL1	1	1
	23.11	78.74	47.91
	129	H	H10E	PMCL1	1	1
	23.86	77.36	48.79
	130	C	CB11	PMCL1	1	1
	25.12	78.26	47.27
	131	H	H11D	PMCL1	1	1
	26.12	78.03	47.7
	132	H	H11E	PMCL1	1	1
	25.15	79.23	46.72
	133	C	CB12	PMCL1	1	1
	24.83	77.13	46.27
	134	H	H12D	PMCL1	1	1
	23.76	77.14	45.99
	135	H	H12E	PMCL1	1	1
	25	76.17	46.8
	136	C	CB13	PMCL1	1	1
	25.68	77.26	44.99
	137	H	H13D	PMCL1	1	1
	26.74	77.47	45.2
	138	H	H13E	PMCL1	1	1
	25.25	78.06	44.34
	139	C	CB14	PMCL1	1	1
	25.63	76.05	44.13
	140	H	H14D	PMCL1	1	1
	24.54	75.8	44.03
	141	H	H14E	PMCL1	1	1
	26.14	75.16	44.6
	142	C	CB15	PMCL1	1	1
	26.18	76.29	42.7
	143	H	H15D	PMCL1	1	1
	25.58	76.97	42.09
	144	H	H15E	PMCL1	1	1
	26.19	75.54	41.95
	145	C	CB16	PMCL1	1	1
	27.64	76.28	42.62
	146	H	H16D	PMCL1	1	1
	27.95	76.25	41.57
	147	H	H16E	PMCL1	1	1
	28.17	75.43	43.1
	148	H	H16F	PMCL1	1	1
	27.86	77.22	43.11
	149	C	CC3	PMCL1	1	1
	28.03	75.67	52.37
	150	H	H3R	PMCL1	1	1
	28.33	74.69	51.94
	151	H	H3S	PMCL1	1	1
	28.87	76.38	52.15
	152	C	CC4	PMCL1	1	1
	26.68	76.19	51.84
	153	H	H4R	PMCL1	1	1
	26.53	77.2	52.26
	154	H	H4S	PMCL1	1	1
	25.9	75.51	52.27
	155	C	CC5	PMCL1	1	1
	26.4	76.33	50.34
	156	H	H5R	PMCL1	1	1
	27.08	77.06	49.86
	157	H	H5S	PMCL1	1	1
	25.35	76.69	50.2
	158	C	CC6	PMCL1	1	1
	26.53	75.11	49.53
	159	H	H6R	PMCL1	1	1
	27.5	74.57	49.7
	160	H	H6S	PMCL1	1	1
	26.44	75.34	48.43
	161	C	CC7	PMCL1	1	1
	25.43	74.15	49.7
	162	H	H7R	PMCL1	1	1
	24.42	74.47	49.36
	163	H	H7S	PMCL1	1	1
	25.29	73.94	50.79
	164	C	CC8	PMCL1	1	1
	26.15	73.18	48.76
	165	H	H8R	PMCL1	1	1
	25.87	72.26	48.83
	166	H	H8S	PMCL1	1	1
	27.07	72.73	49.16
	167	C	CC9	PMCL1	1	1
	25.68	72.93	47.35
	168	H	H9R	PMCL1	1	1
	25.98	71.94	46.9
	169	H	H9S	PMCL1	1	1
	26.34	73.57	46.82
	170	C	CC10	PMCL1	1	1
	24.25	73.14	46.95
	171	H	H10R	PMCL1	1	1
	23.75	74.06	47.25
	172	H	H10S	PMCL1	1	1
	23.42	72.5	47.29
	173	C	CC11	PMCL1	1	1
	24.5	72.69	45.59
	174	H	H11R	PMCL1	1	1
	24.86	71.71	45.27
	175	H	H11S	PMCL1	1	1
	25.05	73.43	45.03
	176	C	CC12	PMCL1	1	1
	23.17	72.44	45.19
	177	H	H12R	PMCL1	1	1
	22.51	73.38	45.65
	178	H	H12S	PMCL1	1	1
	22.75	71.41	44.91
	179	C	CC13	PMCL1	1	1
	23.01	72.34	44
	180	H	H13R	PMCL1	1	1
	23.4	73.48	44.34
	181	H	H13S	PMCL1	1	1
	22.27	72.35	43.35
	182	C	CC14	PMCL1	1	1
	22.85	71.67	42.39
	183	H	H14R	PMCL1	1	1
	22.58	70.81	42.86
	184	H	H14S	PMCL1	1	1
	23.85	71.48	42.05
	185	C	CC15	PMCL1	1	1
	22.57	72.37	40.8
	186	H	H15R	PMCL1	1	1
	22.83	73.48	40.46
	187	H	H15S	PMCL1	1	1
	21.53	72.54	40.65
	188	C	CC16	PMCL1	1	1
	23.58	72.11	39.74
	189	H	H16R	PMCL1	1	1
	23.04	71.3	39.59
	190	H	H16S	PMCL1	1	1
	24.46	71.53	40.08
	191	H	H16T	PMCL1	1	1
	23.52	72.52	38.73
	192	C	CD3	PMCL1	1	1
	20.97	70.58	52.95
	193	H	H3X	PMCL1	1	1
	20.18	71.27	53.21
	194	H	H3Y	PMCL1	1	1
	20.43	69.86	53.45
	195	C	CD4	PMCL1	1	1
	21.34	70.33	51.49
	196	H	H4X	PMCL1	1	1
	20.33	70.02	51.24
	197	H	H4Y	PMCL1	1	1
	22.05	69.55	51.05
	198	C	CD5	PMCL1	1	1
	21.41	71.44	50.71
	199	H	H5X	PMCL1	1	1
	22.46	71.69	50.89
	200	H	H5Y	PMCL1	1	1
	20.67	72.07	51.18
	201	C	CD6	PMCL1	1	1
	21.02	70.97	49.41
	202	H	H6X	PMCL1	1	1
	21.62	70.08	49.13
	203	H	H6Y	PMCL1	1	1
	21.29	71.82	48.77
	204	C	CD7	PMCL1	1	1
	19.59	70.79	49.19
	205	H	H7X	PMCL1	1	1
	19.05	71.4	49.92
	206	H	H7Y	PMCL1	1	1
	19.4	69.71	49.24
	207	C	CD8	PMCL1	1	1
	18.98	71.18	47.89
	208	H	H8X	PMCL1	1	1
	18.21	70.66	48.25
	209	H	H8Y	PMCL1	1	1
	19.24	70.57	47.06
	210	C	CD9	PMCL1	1	1
	18.72	72.61	47.47
	211	H	H9X	PMCL1	1	1
	19.7	72.94	47.87
	212	H	H9Y	PMCL1	1	1
	18.01	73.11	48.01
	213	C	CD10	PMCL1	1	1
	18.12	73.08	46.04
	214	H	H10X	PMCL1	1	1
	18.88	72.45	46.17
	215	H	H10Y	PMCL1	1	1
	18.63	73.87	45.47
	216	C	CD11	PMCL1	1	1
	17.75	72.08	44.92
	217	H	H11X	PMCL1	1	1
	17.11	71.91	45.59
	218	H	H11Y	PMCL1	1	1
	18.2	71.05	44.96
	219	C	CD12	PMCL1	1	1
	17.04	72.6	43.67
	220	H	H12X	PMCL1	1	1
	16.5	73.52	43.85
	221	H	H12Y	PMCL1	1	1
	16.4	71.75	43.3
	222	C	CD13	PMCL1	1	1
	18.04	73.14	42.64
	223	H	H13X	PMCL1	1	1
	18.73	72.47	43.22
	224	H	H13Y	PMCL1	1	1
	18.81	73.78	42.62
	225	C	CD14	PMCL1	1	1
	17.81	73.11	41.05
	226	H	H14X	PMCL1	1	1
	17.31	74.05	40.86
	227	H	H14Y	PMCL1	1	1
	17.32	72.15	41.18
	228	C	CD15	PMCL1	1	1
	18.78	72.85	39.71
	229	H	H15X	PMCL1	1	1
	19.76	73.28	39.99
	230	H	H15Y	PMCL1	1	1
	18.25	73.36	38.9
	231	C	CD16	PMCL1	1	1
	19.25	71.43	39.11
	232	H	H16X	PMCL1	1	1
	18.44	70.65	39.15
	233	H	H16Y	PMCL1	1	1
	20.08	71.01	39.75
	234	H	H16Z	PMCL1	1	1
	19.87	71.37	38.21

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

_cell.entry_id	PMCL1
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

