# --------------------------------------------------------------------------
#
# 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 PVCL2.gro
#
#---------------------------------------------------------------------------

data_PVCL2

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

_entry.id	PVCL2

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

_chemical.entry_id	PVCL2
_chemical.name_common	'PVCL2'

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

_chemical_formula.entry_id	PVCL2
_chemical_formula.structural	'C77H154O17P2'

###############
## 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	PVCL2	1	1
	67.66	50.93	58.88
	2	H	HG31	PVCL2	1	1
	67.02	50.18	58.38
	3	H	HG32	PVCL2	1	1
	67.36	51.9	58.42
	4	P	P3	PVCL2	1	1
	69.89	51.1	57.45
	5	O	OP33	PVCL2	1	1
	69.23	50.85	56.16
	6	O	OP34	PVCL2	1	1
	71.29	50.7	57.63
	7	O	OP31	PVCL2	1	1
	69.04	50.63	58.69
	8	O	OP32	PVCL2	1	1
	69.8	52.62	57.67
	9	C	C31	PVCL2	1	1
	70.11	53.18	58.91
	10	H	H31J	PVCL2	1	1
	69.56	52.83	59.78
	11	H	H31K	PVCL2	1	1
	71.19	53.19	59.13
	12	C	C2	PVCL2	1	1
	67.35	50.89	60.4
	13	H	HG22	PVCL2	1	1
	67.92	51.74	60.85
	14	O	OG12	PVCL2	1	1
	65.98	51.17	60.63
	15	H	HO12	PVCL2	1	1
	65.89	52.1	60.75
	16	C	C1	PVCL2	1	1
	67.81	49.57	61.11
	17	H	HG11	PVCL2	1	1
	67.8	49.73	62.21
	18	H	HG12	PVCL2	1	1
	68.87	49.36	60.8
	19	P	P1	PVCL2	1	1
	67.25	47.2	59.98
	20	O	OP13	PVCL2	1	1
	67.68	46.08	60.89
	21	O	OP14	PVCL2	1	1
	66.12	46.9	59.08
	22	O	OP11	PVCL2	1	1
	66.97	48.45	60.87
	23	O	OP12	PVCL2	1	1
	68.48	47.56	59.08
	24	C	C11	PVCL2	1	1
	69.12	46.59	58.27
	25	H	H11J	PVCL2	1	1
	68.4	45.81	57.95
	26	H	H11K	PVCL2	1	1
	69.89	46.11	58.89
	27	C	C12	PVCL2	1	1
	69.8	47.2	56.98
	28	H	H12J	PVCL2	1	1
	70.6	47.9	57.29
	29	O	O12	PVCL2	1	1
	68.89	47.96	56.17
	30	C	CA1	PVCL2	1	1
	67.77	47.45	55.81
	31	O	OA1	PVCL2	1	1
	67.4	46.28	55.91
	32	C	CA2	PVCL2	1	1
	66.95	48.54	55.1
	33	H	H2A	PVCL2	1	1
	67.53	48.93	54.25
	34	H	H2B	PVCL2	1	1
	66.81	49.39	55.81
	35	C	C13	PVCL2	1	1
	70.44	46.1	56.08
	36	H	H13J	PVCL2	1	1
	69.8	45.2	56.21
	37	H	H13K	PVCL2	1	1
	71.44	45.79	56.47
	38	O	O13	PVCL2	1	1
	70.47	46.46	54.67
	39	C	CB1	PVCL2	1	1
	71.27	47.49	54.35
	40	O	OB1	PVCL2	1	1
	72.01	48.06	55.12
	41	C	CB2	PVCL2	1	1
	71.26	47.72	52.81
	42	H	H2D	PVCL2	1	1
	70.36	47.22	52.41
	43	H	H2E	PVCL2	1	1
	72.15	47.19	52.41
	44	C	C32	PVCL2	1	1
	69.85	54.55	58.64
	45	H	H32J	PVCL2	1	1
	69.94	55.1	59.6
	46	O	O32	PVCL2	1	1
	68.57	54.98	58.14
	47	C	CC1	PVCL2	1	1
	67.5	54.85	58.88
	48	O	OC1	PVCL2	1	1
	67.39	54.33	59.98
	49	C	CC2	PVCL2	1	1
	66.37	55.5	58.12
	50	H	H2R	PVCL2	1	1
	66.72	56.29	57.42
	51	H	H2S	PVCL2	1	1
	65.66	55.99	58.8
	52	C	C33	PVCL2	1	1
	71.02	54.85	57.59
	53	H	H33J	PVCL2	1	1
	70.45	55.62	57.18
	54	H	H33K	PVCL2	1	1
	72.01	55.1	58
	55	O	O33	PVCL2	1	1
	71.18	54.27	56.36
	56	C	CD1	PVCL2	1	1
	72.12	54.63	55.55
	57	O	OD1	PVCL2	1	1
	73	55.47	55.65
	58	C	CD2	PVCL2	1	1
	71.68	53.92	54.32
	59	H	H2X	PVCL2	1	1
	72.11	52.94	54.62
	60	H	H2Y	PVCL2	1	1
	72.17	54.39	53.46
	61	C	CA3	PVCL2	1	1
	65.58	47.99	54.67
	62	H	H3A	PVCL2	1	1
	64.96	48.88	54.44
	63	H	H3B	PVCL2	1	1
	65.11	47.53	55.57
	64	C	CA4	PVCL2	1	1
	65.46	47.02	53.46
	65	H	H4A	PVCL2	1	1
	64.36	46.9	53.36
	66	H	H4B	PVCL2	1	1
	65.81	45.99	53.67
	67	C	CA5	PVCL2	1	1
	66	47.55	52.1
	68	H	H5A	PVCL2	1	1
	67.12	47.53	52.07
	69	H	H5B	PVCL2	1	1
	65.66	48.6	51.99
	70	C	CA6	PVCL2	1	1
	65.55	46.79	50.84
	71	H	H6A	PVCL2	1	1
	64.44	46.75	50.81
	72	H	H6B	PVCL2	1	1
	65.96	45.76	50.9
	73	C	CA7	PVCL2	1	1
	66.05	47.45	49.53
	74	H	H7A	PVCL2	1	1
	67.16	47.43	49.52
	75	H	H7B	PVCL2	1	1
	65.73	48.51	49.44
	76	C	CA8	PVCL2	1	1
	65.53	46.85	48.22
	77	H	H8A	PVCL2	1	1
	64.44	46.99	48.22
	78	H	H8B	PVCL2	1	1
	65.74	45.77	48.15
	79	C	CA9	PVCL2	1	1
	66.04	47.66	47.02
	80	H	H9A	PVCL2	1	1
	67.15	47.79	47.11
	81	H	H9B	PVCL2	1	1
	65.56	48.67	47.05
	82	C	CA10	PVCL2	1	1
	65.69	47.03	45.67
	83	H	H10A	PVCL2	1	1
	65.97	46	45.74
	84	H	H10B	PVCL2	1	1
	66.24	47.47	44.82
	85	C	CA11	PVCL2	1	1
	64.23	46.98	45.46
	86	H	H11A	PVCL2	1	1
	63.69	46.24	46.04
	87	C	CA12	PVCL2	1	1
	63.58	47.71	44.59
	88	H	H12A	PVCL2	1	1
	62.53	47.59	44.36
	89	C	CA13	PVCL2	1	1
	64.13	48.68	43.7
	90	H	H13A	PVCL2	1	1
	64.84	49.47	43.99
	91	H	H13B	PVCL2	1	1
	63.24	49.16	43.38
	92	C	CA14	PVCL2	1	1
	64.45	47.84	42.51
	93	H	H14A	PVCL2	1	1
	65.45	47.67	42.16
	94	H	H14B	PVCL2	1	1
	64.57	48.7	42.06
	95	C	CA15	PVCL2	1	1
	63.32	47.17	41.81
	96	H	H15A	PVCL2	1	1
	62.28	47.5	41.96
	97	H	H15B	PVCL2	1	1
	63.22	46.24	42.32
	98	C	CA16	PVCL2	1	1
	63.52	46.9	40.39
	99	H	H16A	PVCL2	1	1
	64.44	46.36	40.15
	100	H	H16B	PVCL2	1	1
	63.83	47.76	39.82
	101	C	CA17	PVCL2	1	1
	62.19	46.15	40.31
	102	H	H17A	PVCL2	1	1
	62.16	45.12	40.64
	103	H	H17B	PVCL2	1	1
	62.05	45.49	39.58
	104	C	CA18	PVCL2	1	1
	60.95	46.75	39.88
	105	H	H18A	PVCL2	1	1
	60.23	45.98	39.49
	106	H	H18B	PVCL2	1	1
	61.18	47.48	39.1
	107	H	H18C	PVCL2	1	1
	60.5	47.38	40.59
	108	C	CB3	PVCL2	1	1
	71.48	49.2	52.32
	109	H	H3D	PVCL2	1	1
	72.54	49.47	52.58
	110	H	H3E	PVCL2	1	1
	70.85	49.9	52.9
	111	C	CB4	PVCL2	1	1
	71.3	49.54	50.81
	112	H	H4D	PVCL2	1	1
	71.65	50.59	50.72
	113	H	H4E	PVCL2	1	1
	70.24	49.47	50.48
	114	C	CB5	PVCL2	1	1
	72.19	48.77	49.82
	115	H	H5D	PVCL2	1	1
	71.9	47.71	49.87
	116	H	H5E	PVCL2	1	1
	73.24	48.9	50.17
	117	C	CB6	PVCL2	1	1
	72.11	49.28	48.35
	118	H	H6D	PVCL2	1	1
	72.41	50.33	48.28
	119	H	H6E	PVCL2	1	1
	71.04	49.24	48.03
	120	C	CB7	PVCL2	1	1
	73.11	48.61	47.36
	121	H	H7D	PVCL2	1	1
	74.13	48.69	47.73
	122	H	H7E	PVCL2	1	1
	72.95	48.94	46.3
	123	C	CB8	PVCL2	1	1
	72.96	47.18	47.2
	124	H	H8D	PVCL2	1	1
	73.16	46.71	48.19
	125	H	H8E	PVCL2	1	1
	73.58	46.57	46.51
	126	C	CB9	PVCL2	1	1
	71.6	47.22	46.61
	127	H	H9D	PVCL2	1	1
	71.04	47.94	46.04
	128	H	H9E	PVCL2	1	1
	70.9	47.44	47.43
	129	C	CB10	PVCL2	1	1
	71.53	46.09	45.67
	130	H	H10D	PVCL2	1	1
	71.68	45.18	46.56
	131	H	H10E	PVCL2	1	1
	72.05	45.06	45.66
	132	C	CB11	PVCL2	1	1
	69.87	46.11	44.52
	133	H	H11D	PVCL2	1	1
	70.14	47.08	44.44
	134	H	H11E	PVCL2	1	1
	68.77	46.76	44.92
	135	C	CB12	PVCL2	1	1
	69.6	44.01	44.2
	136	H	H12D	PVCL2	1	1
	70.17	43.96	43.44
	137	H	H12E	PVCL2	1	1
	68.65	43.84	44.39
	138	C	CB13	PVCL2	1	1
	68.92	42.71	45.04
	139	H	H13D	PVCL2	1	1
	68.22	42.62	45.95
	140	H	H13E	PVCL2	1	1
	69.88	42.76	45.47
	141	C	CB14	PVCL2	1	1
	68.26	41.71	44.25
	142	H	H14D	PVCL2	1	1
	68.45	40.89	44.96
	143	H	H14E	PVCL2	1	1
	68.89	41.84	43.35
	144	C	CB15	PVCL2	1	1
	66.76	41.66	44.3
	145	H	H15D	PVCL2	1	1
	66.09	42.29	43.67
	146	H	H15E	PVCL2	1	1
	66.45	41.89	45.34
	147	C	CB16	PVCL2	1	1
	66.44	40.47	43.55
	148	H	H16D	PVCL2	1	1
	67.03	40.5	42.6
	149	H	H16E	PVCL2	1	1
	65.35	40.55	43.36
	150	H	H16F	PVCL2	1	1
	66.75	39.62	44.15
	151	C	CC3	PVCL2	1	1
	65.73	54.37	57.32
	152	H	H3R	PVCL2	1	1
	64.74	54.74	57.07
	153	H	H3S	PVCL2	1	1
	65.58	53.44	57.9
	154	C	CC4	PVCL2	1	1
	66.49	54.15	56.02
	155	H	H4R	PVCL2	1	1
	67.54	53.87	56.18
	156	H	H4S	PVCL2	1	1
	66.41	55.09	55.43
	157	C	CC5	PVCL2	1	1
	65.96	53.08	55.17
	158	H	H5R	PVCL2	1	1
	65.3	52.44	55.77
	159	H	H5S	PVCL2	1	1
	66.61	52.39	54.6
	160	C	CC6	PVCL2	1	1
	65.21	53.81	54.17
	161	H	H6R	PVCL2	1	1
	65.52	54.59	53.47
	162	H	H6S	PVCL2	1	1
	64.37	53.95	54.77
	163	C	CC7	PVCL2	1	1
	64.92	52.84	53.33
	164	H	H7R	PVCL2	1	1
	64.79	51.9	53.9
	165	H	H7S	PVCL2	1	1
	65.71	52.33	52.83
	166	C	CC8	PVCL2	1	1
	63.81	53.19	52.5
	167	H	H8R	PVCL2	1	1
	64.23	53.8	51.8
	168	H	H8S	PVCL2	1	1
	62.75	53.29	53.06
	169	C	CC9	PVCL2	1	1
	62.86	51.64	50.34
	170	H	H9R	PVCL2	1	1
	62.26	52.06	49.83
	171	H	H9S	PVCL2	1	1
	62.08	51.23	51.16
	172	C	CC10	PVCL2	1	1
	63.84	51.17	49.54
	173	H	H10R	PVCL2	1	1
	64.65	50.6	49.91
	174	H	H10S	PVCL2	1	1
	64.25	52.21	49.38
	175	C	CC11	PVCL2	1	1
	63.07	50.15	48.87
	176	H	H11R	PVCL2	1	1
	62.46	49.42	49.43
	177	C	CC12	PVCL2	1	1
	62.84	50.49	47.69
	178	H	H12R	PVCL2	1	1
	61.98	50.01	47.18
	179	C	CC13	PVCL2	1	1
	63.36	51.83	47.21
	180	H	H13R	PVCL2	1	1
	64	52.56	47.69
	181	H	H13S	PVCL2	1	1
	62.58	52.58	47.32
	182	C	CC14	PVCL2	1	1
	63.78	51.39	45.86
	183	H	H14R	PVCL2	1	1
	62.9	50.87	45.52
	184	H	H14S	PVCL2	1	1
	64.58	50.71	45.81
	185	C	CC15	PVCL2	1	1
	63.84	52.37	44.81
	186	H	H15R	PVCL2	1	1
	64.45	53.09	45.34
	187	H	H15S	PVCL2	1	1
	62.75	52.54	44.55
	188	C	CC16	PVCL2	1	1
	64.64	52.3	43.53
	189	H	H16R	PVCL2	1	1
	63.78	51.82	43.13
	190	H	H16S	PVCL2	1	1
	65.41	51.54	43.55
	191	C	CC17	PVCL2	1	1
	64.99	53.54	42.61
	192	H	H17R	PVCL2	1	1
	65.74	54.16	43.05
	193	H	H17S	PVCL2	1	1
	64.3	54.24	42.11
	194	C	CC18	PVCL2	1	1
	65.73	53.32	41.47
	195	H	H18R	PVCL2	1	1
	65.42	53.64	40.46
	196	H	H18S	PVCL2	1	1
	64.99	53.03	40.85
	197	H	H18T	PVCL2	1	1
	66.1	52.3	41.61
	198	C	CD3	PVCL2	1	1
	70.16	53.82	53.97
	199	H	H3X	PVCL2	1	1
	69.54	54.72	54.19
	200	H	H3Y	PVCL2	1	1
	69.75	53	54.6
	201	C	CD4	PVCL2	1	1
	70	53.53	52.46
	202	H	H4X	PVCL2	1	1
	70.79	52.82	52.15
	203	H	H4Y	PVCL2	1	1
	70.21	54.48	51.91
	204	C	CD5	PVCL2	1	1
	68.64	52.95	52.03
	205	H	H5X	PVCL2	1	1
	67.8	53.57	52.4
	206	H	H5Y	PVCL2	1	1
	68.5	51.94	52.47
	207	C	CD6	PVCL2	1	1
	68.51	52.83	50.51
	208	H	H6X	PVCL2	1	1
	69.3	52.17	50.09
	209	H	H6Y	PVCL2	1	1
	68.64	53.83	50.02
	210	C	CD7	PVCL2	1	1
	67.13	52.32	50.1
	211	H	H7X	PVCL2	1	1
	66.37	53.05	50.48
	212	H	H7Y	PVCL2	1	1
	66.91	51.31	50.52
	213	C	CD8	PVCL2	1	1
	67.03	52.26	48.58
	214	H	H8X	PVCL2	1	1
	67.19	53.32	48.26
	215	H	H8Y	PVCL2	1	1
	66	51.93	48.3
	216	C	CD9	PVCL2	1	1
	68.01	51.3	47.86
	217	H	H9X	PVCL2	1	1
	67.68	50.28	48.13
	218	H	H9Y	PVCL2	1	1
	69.08	51.34	48.13
	219	C	CD10	PVCL2	1	1
	67.96	51.49	46.35
	220	H	H10X	PVCL2	1	1
	68.54	52.4	46.09
	221	H	H10Y	PVCL2	1	1
	66.91	51.64	46.03
	222	C	CD11	PVCL2	1	1
	68.59	50.3	45.63
	223	H	H11X	PVCL2	1	1
	68.06	49.37	45.93
	224	H	H11Y	PVCL2	1	1
	69.64	50.18	46
	225	C	CD12	PVCL2	1	1
	68.58	50.47	44.11
	226	H	H12X	PVCL2	1	1
	69.25	51.3	43.81
	227	H	H12Y	PVCL2	1	1
	67.57	50.77	43.75
	228	C	CD13	PVCL2	1	1
	68.94	49.16	43.42
	229	H	H13X	PVCL2	1	1
	68.4	48.4	44.01
	230	H	H13Y	PVCL2	1	1
	70.04	48.98	43.47
	231	C	CD14	PVCL2	1	1
	68.45	49.07	41.98
	232	H	H14X	PVCL2	1	1
	67.35	49.15	41.95
	233	H	H14Y	PVCL2	1	1
	68.72	48.12	41.49
	234	C	CD15	PVCL2	1	1
	69.11	50.14	41.16
	235	H	H15X	PVCL2	1	1
	70.22	50.03	41.2
	236	H	H15Y	PVCL2	1	1
	68.81	51.16	41.54
	237	C	CD16	PVCL2	1	1
	68.89	49.94	39.71
	238	H	H16X	PVCL2	1	1
	67.83	49.84	39.45
	239	H	H16Y	PVCL2	1	1
	69.15	49.03	39.22
	240	H	H16Z	PVCL2	1	1
	69.46	50.75	39.21

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

_cell.entry_id	PVCL2
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

