# --------------------------------------------------------------------------
#
# 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 PMCL2.gro
#
#---------------------------------------------------------------------------

data_PMCL2

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

_entry.id	PMCL2

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

_chemical.entry_id	PMCL2
_chemical.name_common	'PMCL2'

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

_chemical_formula.entry_id	PMCL2
_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	PMCL2	1	1
	56.71	6.38	58.48
	2	H	HG31	PMCL2	1	1
	57.3	7.27	58.19
	3	H	HG32	PMCL2	1	1
	56.19	6.67	59.41
	4	P	P3	PMCL2	1	1
	58.74	4.95	57.78
	5	O	OP33	PMCL2	1	1
	59.78	4.29	58.61
	6	O	OP34	PMCL2	1	1
	59.12	6.11	56.95
	7	O	OP31	PMCL2	1	1
	57.52	5.24	58.74
	8	O	OP32	PMCL2	1	1
	58.11	3.89	56.85
	9	C	C31	PMCL2	1	1
	57.87	2.55	57.32
	10	H	H31J	PMCL2	1	1
	58.68	2.13	57.96
	11	H	H31K	PMCL2	1	1
	56.87	2.47	57.73
	12	C	C2	PMCL2	1	1
	55.68	6.11	57.35
	13	H	HG22	PMCL2	1	1
	56.31	6.06	56.42
	14	O	OG12	PMCL2	1	1
	55.02	4.87	57.59
	15	H	HO12	PMCL2	1	1
	55.74	4.22	57.64
	16	C	C1	PMCL2	1	1
	54.62	7.23	57.21
	17	H	HG11	PMCL2	1	1
	54.3	7.46	58.26
	18	H	HG12	PMCL2	1	1
	53.73	6.85	56.65
	19	P	P1	PMCL2	1	1
	54.73	9.81	57
	20	O	OP13	PMCL2	1	1
	53.25	9.87	56.86
	21	O	OP14	PMCL2	1	1
	55.37	10.06	58.31
	22	O	OP11	PMCL2	1	1
	55.15	8.36	56.51
	23	O	OP12	PMCL2	1	1
	55.44	10.74	55.96
	24	C	C11	PMCL2	1	1
	55.44	10.41	54.58
	25	H	H11J	PMCL2	1	1
	55.44	11.36	54.08
	26	H	H11K	PMCL2	1	1
	54.49	9.93	54.27
	27	C	C12	PMCL2	1	1
	56.72	9.65	54.09
	28	H	H12J	PMCL2	1	1
	56.56	8.59	54.4
	29	O	O12	PMCL2	1	1
	57.92	10.19	54.69
	30	C	CA1	PMCL2	1	1
	58.93	9.29	54.76
	31	O	OA1	PMCL2	1	1
	58.89	8.15	54.38
	32	C	CA2	PMCL2	1	1
	60.21	9.91	55.24
	33	H	H2A	PMCL2	1	1
	61.01	9.19	55.39
	34	H	H2B	PMCL2	1	1
	60.05	10.56	56.14
	35	C	C13	PMCL2	1	1
	56.88	9.68	52.53
	36	H	H13J	PMCL2	1	1
	55.93	9.31	52.11
	37	H	H13K	PMCL2	1	1
	57.66	8.95	52.23
	38	O	O13	PMCL2	1	1
	57.17	11.01	52.06
	39	C	CB1	PMCL2	1	1
	57.5	11.14	50.8
	40	O	OB1	PMCL2	1	1
	57.64	10.24	49.99
	41	C	CB2	PMCL2	1	1
	57.57	12.63	50.48
	42	H	H2D	PMCL2	1	1
	58.15	13.18	51.19
	43	H	H2E	PMCL2	1	1
	56.63	13.14	50.61
	44	C	C32	PMCL2	1	1
	57.81	1.62	56.14
	45	H	H32J	PMCL2	1	1
	58.3	0.58	56.4
	46	O	O32	PMCL2	1	1
	58.2	2.25	55.08
	47	C	CC1	PMCL2	1	1
	59.32	2.33	55.26
	48	O	OC1	PMCL2	1	1
	59.96	1.54	55.99
	49	C	CC2	PMCL2	1	1
	59.77	3.57	54.34
	50	H	H2R	PMCL2	1	1
	59.56	2.45	53.9
	51	H	H2S	PMCL2	1	1
	60.9	3.94	54
	52	C	C33	PMCL2	1	1
	56.69	1.17	55.61
	53	H	H33J	PMCL2	1	1
	56.98	0.64	54.69
	54	H	H33K	PMCL2	1	1
	56.36	0.52	56.44
	55	O	O33	PMCL2	1	1
	55.86	2.28	55.22
	56	C	CD1	PMCL2	1	1
	55.9	2.69	53.96
	57	O	OD1	PMCL2	1	1
	56.55	2.23	53.04
	58	C	CD2	PMCL2	1	1
	54.9	3.81	53.86
	59	H	H2X	PMCL2	1	1
	54.5	4	54.89
	60	H	H2Y	PMCL2	1	1
	54.13	3.43	53.17
	61	C	CA3	PMCL2	1	1
	60.8	10.68	54.1
	62	H	H3A	PMCL2	1	1
	61.71	11.16	54.44
	63	H	H3B	PMCL2	1	1
	59.96	11.35	54.07
	64	C	CA4	PMCL2	1	1
	60.98	10.29	52.63
	65	H	H4A	PMCL2	1	1
	59.97	10.23	52.19
	66	H	H4B	PMCL2	1	1
	61.47	9.31	52.73
	67	C	CA5	PMCL2	1	1
	61.92	11.19	51.75
	68	H	H5A	PMCL2	1	1
	62.63	11.69	52.45
	69	H	H5B	PMCL2	1	1
	61.36	11.98	51.19
	70	C	CA6	PMCL2	1	1
	62.81	10.41	50.8
	71	H	H6A	PMCL2	1	1
	63.46	9.81	51.46
	72	H	H6B	PMCL2	1	1
	63.48	11.1	50.23
	73	C	CA7	PMCL2	1	1
	62.05	9.54	49.82
	74	H	H7A	PMCL2	1	1
	61.22	9.01	50.31
	75	H	H7B	PMCL2	1	1
	62.71	8.77	49.4
	76	C	CA8	PMCL2	1	1
	61.46	10.31	48.64
	77	H	H8A	PMCL2	1	1
	60.83	11.1	49.1
	78	H	H8B	PMCL2	1	1
	60.83	9.6	48.06
	79	C	CA9	PMCL2	1	1
	62.55	10.87	47.74
	80	H	H9A	PMCL2	1	1
	63.56	11.11	48.13
	81	C	CA17	PMCL2	1	1
	62.57	10.39	46.29
	82	H	H17A	PMCL2	1	1
	63.62	10.22	46.03
	83	H	H17B	PMCL2	1	1
	61.76	9.74	46.01
	84	C	CA10	PMCL2	1	1
	62.08	11.69	46.6
	85	H	H10A	PMCL2	1	1
	62.91	12.31	46.26
	86	C	CA11	PMCL2	1	1
	60.54	11.75	46.38
	87	H	H11A	PMCL2	1	1
	60.13	10.78	46.04
	88	H	H11B	PMCL2	1	1
	60.1	12.01	47.36
	89	C	CA12	PMCL2	1	1
	59.91	12.65	45.31
	90	H	H12A	PMCL2	1	1
	60.04	13.72	45.51
	91	H	H12B	PMCL2	1	1
	58.85	12.71	45.21
	92	C	CA13	PMCL2	1	1
	60.48	12.3	43.94
	93	H	H13A	PMCL2	1	1
	60.06	11.34	43.65
	94	H	H13B	PMCL2	1	1
	61.51	11.88	44.1
	95	C	CA14	PMCL2	1	1
	60.34	13.65	43.07
	96	H	H14A	PMCL2	1	1
	59.26	13.8	43.26
	97	H	H14B	PMCL2	1	1
	60.51	13.52	42
	98	C	CA15	PMCL2	1	1
	61.16	15.07	43.19
	99	H	H15A	PMCL2	1	1
	62.25	15.15	43.22
	100	H	H15B	PMCL2	1	1
	60.91	15.64	44.13
	101	C	CA16	PMCL2	1	1
	61.83	15.84	42.2
	102	H	H16A	PMCL2	1	1
	61.49	15.64	41.17
	103	H	H16B	PMCL2	1	1
	62.44	16.73	42.47
	104	H	H16C	PMCL2	1	1
	61.15	16.37	42.63
	105	C	CB3	PMCL2	1	1
	58.14	12.8	49.1
	106	H	H3D	PMCL2	1	1
	57.55	12.36	48.29
	107	H	H3E	PMCL2	1	1
	59.16	12.35	49.16
	108	C	CB4	PMCL2	1	1
	58.36	14.19	48.65
	109	H	H4D	PMCL2	1	1
	59.01	14.09	47.76
	110	H	H4E	PMCL2	1	1
	59.07	14.59	49.31
	111	C	CB5	PMCL2	1	1
	57.24	15.19	48.35
	112	H	H5D	PMCL2	1	1
	57.56	16.27	48.34
	113	H	H5E	PMCL2	1	1
	56.47	15.11	49.14
	114	C	CB6	PMCL2	1	1
	56.78	14.84	46.96
	115	H	H6D	PMCL2	1	1
	57.01	13.76	46.8
	116	H	H6E	PMCL2	1	1
	57.23	15.45	46.17
	117	C	CB7	PMCL2	1	1
	55.33	14.97	46.78
	118	H	H7D	PMCL2	1	1
	54.94	15.98	46.54
	119	H	H7E	PMCL2	1	1
	54.96	14.76	47.71
	120	C	CB8	PMCL2	1	1
	54.8	13.82	45.97
	121	H	H8D	PMCL2	1	1
	55.2	14	44.96
	122	H	H8E	PMCL2	1	1
	53.76	14.08	46.22
	123	C	CB9	PMCL2	1	1
	54.6	12.35	46.37
	124	H	H9D	PMCL2	1	1
	53.52	12.1	46.57
	125	H	H9E	PMCL2	1	1
	55.17	12.14	47.29
	126	C	CB10	PMCL2	1	1
	55.06	11.49	45.22
	127	H	H10D	PMCL2	1	1
	54.84	12.04	44.28
	128	H	H10E	PMCL2	1	1
	54.56	10.5	45.19
	129	C	CB11	PMCL2	1	1
	56.57	11.32	45.31
	130	H	H11D	PMCL2	1	1
	56.87	10.79	46.23
	131	H	H11E	PMCL2	1	1
	56.99	12.34	45.33
	132	C	CB12	PMCL2	1	1
	57.16	10.52	44.17
	133	H	H12D	PMCL2	1	1
	56.63	9.54	44.13
	134	H	H12E	PMCL2	1	1
	58.23	10.35	44.43
	135	C	CB13	PMCL2	1	1
	57.07	11.25	42.84
	136	H	H13D	PMCL2	1	1
	57.68	12.18	42.92
	137	H	H13E	PMCL2	1	1
	56.02	11.53	42.64
	138	C	CB14	PMCL2	1	1
	57.58	10.39	41.7
	139	H	H14D	PMCL2	1	1
	58.48	9.82	41.97
	140	H	H14E	PMCL2	1	1
	57.84	11.11	40.92
	141	C	CB15	PMCL2	1	1
	56.59	9.36	41.19
	142	H	H15D	PMCL2	1	1
	56.38	8.63	42.01
	143	H	H15E	PMCL2	1	1
	57.02	8.74	40.37
	144	C	CB16	PMCL2	1	1
	55.32	10.01	40.7
	145	H	H16D	PMCL2	1	1
	54.88	9.22	40.11
	146	H	H16E	PMCL2	1	1
	55.46	10.81	39.96
	147	H	H16F	PMCL2	1	1
	54.64	10.35	41.51
	148	C	CC3	PMCL2	1	1
	59.55	4.9	53.66
	149	H	H3R	PMCL2	1	1
	60.14	5.44	54.46
	150	H	H3S	PMCL2	1	1
	58.5	4.95	53.68
	151	C	CC4	PMCL2	1	1
	60.16	5.38	52.27
	152	H	H4R	PMCL2	1	1
	61.24	5.22	52.03
	153	H	H4S	PMCL2	1	1
	60.07	6.47	52.46
	154	C	CC5	PMCL2	1	1
	59.26	5.24	51.03
	155	H	H5R	PMCL2	1	1
	58.21	5.21	51.35
	156	H	H5S	PMCL2	1	1
	59.5	4.47	50.31
	157	C	CC6	PMCL2	1	1
	59.46	6.39	50.07
	158	H	H6R	PMCL2	1	1
	60.37	6.3	49.56
	159	H	H6S	PMCL2	1	1
	59.58	7.3	50.64
	160	C	CC7	PMCL2	1	1
	58.48	6.51	48.94
	161	H	H7R	PMCL2	1	1
	57.53	6.66	49.47
	162	H	H7S	PMCL2	1	1
	58.4	5.61	48.35
	163	C	CC8	PMCL2	1	1
	58.82	7.64	47.98
	164	H	H8R	PMCL2	1	1
	59.72	7.46	47.37
	165	H	H8S	PMCL2	1	1
	59.02	8.51	48.64
	166	C	CC9	PMCL2	1	1
	57.7	7.94	47
	167	H	H9R	PMCL2	1	1
	58.01	8.77	46.33
	168	H	H9S	PMCL2	1	1
	56.83	8.27	47.61
	169	C	CC10	PMCL2	1	1
	57.33	6.76	46.09
	170	H	H10R	PMCL2	1	1
	56.65	7.15	45.3
	171	H	H10S	PMCL2	1	1
	56.77	6	46.67
	172	C	CC11	PMCL2	1	1
	58.56	6.17	45.41
	173	H	H11R	PMCL2	1	1
	59.18	5.62	46.16
	174	H	H11S	PMCL2	1	1
	59.16	7.05	45.09
	175	C	CC12	PMCL2	1	1
	58.24	5.27	44.21
	176	H	H12R	PMCL2	1	1
	57.38	4.61	44.42
	177	H	H12S	PMCL2	1	1
	59.13	4.63	43.99
	178	C	CC13	PMCL2	1	1
	57.79	6.04	42.97
	179	H	H13R	PMCL2	1	1
	58.67	6.66	42.71
	180	H	H13S	PMCL2	1	1
	56.93	6.69	43.23
	181	C	CC14	PMCL2	1	1
	57.19	5.22	41.82
	182	H	H14R	PMCL2	1	1
	56.99	5.81	40.9
	183	H	H14S	PMCL2	1	1
	56.33	4.6	42.1
	184	C	CC15	PMCL2	1	1
	58.09	4.24	41.32
	185	H	H15R	PMCL2	1	1
	57.83	3.85	40.31
	186	H	H15S	PMCL2	1	1
	58.31	3.37	41.9
	187	C	CC16	PMCL2	1	1
	59.35	4.85	41.24
	188	H	H16R	PMCL2	1	1
	59.93	5.47	41.91
	189	H	H16S	PMCL2	1	1
	59.51	5.08	40.14
	190	H	H16T	PMCL2	1	1
	59.99	4.02	41.65
	191	C	CD3	PMCL2	1	1
	55.47	5.12	53.29
	192	H	H3X	PMCL2	1	1
	55.99	4.85	52.36
	193	H	H3Y	PMCL2	1	1
	56.22	5.52	54.01
	194	C	CD4	PMCL2	1	1
	54.41	6.21	53.02
	195	H	H4X	PMCL2	1	1
	54.9	7.2	52.94
	196	H	H4Y	PMCL2	1	1
	53.71	6.27	53.88
	197	C	CD5	PMCL2	1	1
	53.63	6	51.71
	198	H	H5X	PMCL2	1	1
	52.79	6.72	51.63
	199	H	H5Y	PMCL2	1	1
	53.18	4.98	51.77
	200	C	CD6	PMCL2	1	1
	54.46	6.1	50.42
	201	H	H6X	PMCL2	1	1
	53.76	5.86	49.59
	202	H	H6Y	PMCL2	1	1
	55.27	5.34	50.41
	203	C	CD7	PMCL2	1	1
	55.12	7.46	50.14
	204	H	H7X	PMCL2	1	1
	55.58	7.42	49.13
	205	H	H7Y	PMCL2	1	1
	55.96	7.58	50.86
	206	C	CD8	PMCL2	1	1
	54.26	8.72	50.28
	207	H	H8X	PMCL2	1	1
	54.97	9.56	50.13
	208	H	H8Y	PMCL2	1	1
	53.85	8.73	51.31
	209	C	CD9	PMCL2	1	1
	53.07	8.89	49.33
	210	H	H9X	PMCL2	1	1
	52.49	9.79	49.67
	211	H	H9Y	PMCL2	1	1
	52.4	8.02	49.48
	212	C	CD10	PMCL2	1	1
	53.47	9.04	47.86
	213	H	H10X	PMCL2	1	1
	54.27	8.34	47.6
	214	H	H10Y	PMCL2	1	1
	53.84	10.07	47.65
	215	C	CD11	PMCL2	1	1
	52.33	8.75	46.89
	216	H	H11X	PMCL2	1	1
	52.6	9.13	45.88
	217	H	H11Y	PMCL2	1	1
	51.53	9.36	47.32
	218	C	CD12	PMCL2	1	1
	51.86	7.28	46.81
	219	H	H12X	PMCL2	1	1
	51.61	6.95	47.84
	220	H	H12Y	PMCL2	1	1
	52.73	6.7	46.46
	221	C	CD13	PMCL2	1	1
	50.65	6.97	45.9
	222	H	H13X	PMCL2	1	1
	49.79	7.34	46.45
	223	H	H13Y	PMCL2	1	1
	50.43	5.88	45.88
	224	C	CD14	PMCL2	1	1
	50.71	7.5	44.47
	225	H	H14X	PMCL2	1	1
	50.87	8.56	44.42
	226	H	H14Y	PMCL2	1	1
	49.75	7.35	43.93
	227	C	CD15	PMCL2	1	1
	51.93	7.03	43.68
	228	H	H15X	PMCL2	1	1
	51.9	5.94	43.58
	229	H	H15Y	PMCL2	1	1
	52.86	7.35	44.19
	230	C	CD16	PMCL2	1	1
	51.94	7.55	42.28
	231	H	H16X	PMCL2	1	1
	50.96	7.28	41.81
	232	H	H16Y	PMCL2	1	1
	52.73	7.12	41.65
	233	H	H16Z	PMCL2	1	1
	52.12	8.64	42.25

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

_cell.entry_id	PMCL2
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

