# --------------------------------------------------------------------------
#
# 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 POPI34.gro
#
#---------------------------------------------------------------------------

data_POPI34

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

_entry.id	POPI34

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

_chemical.entry_id	POPI34
_chemical.name_common	'POPI34'

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

_chemical_formula.entry_id	POPI34
_chemical_formula.structural	'C43H84O22P4'

###############
## 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	C12	POPI34	1	1
	4.94	9.24	62.97
	2	H	H2	POPI34	1	1
	5.95	9.48	62.55
	3	O	O2	POPI34	1	1
	4.73	7.83	62.96
	4	H	HO2	POPI34	1	1
	5.15	7.48	62.17
	5	C	C13	POPI34	1	1
	4.84	9.84	64.37
	6	H	H3	POPI34	1	1
	4.93	10.95	64.22
	7	O	O3	POPI34	1	1
	5.8	9.36	65.29
	8	P	P3	POPI34	1	1
	7.04	10.41	65.59
	9	O	OP32	POPI34	1	1
	7.68	9.91	66.9
	10	O	OP33	POPI34	1	1
	6.56	11.81	66
	11	O	OP34	POPI34	1	1
	7.67	10.54	64.19
	12	C	C14	POPI34	1	1
	3.54	9.6	65.05
	13	H	H4	POPI34	1	1
	3.4	8.5	65.19
	14	O	O4	POPI34	1	1
	3.54	10.37	66.29
	15	P	P4	POPI34	1	1
	3.53	9.72	67.76
	16	O	OP42	POPI34	1	1
	1.99	9.87	68.12
	17	H	HP42	POPI34	1	1
	1.67	10.79	67.97
	18	O	OP43	POPI34	1	1
	3.73	8.21	67.8
	19	O	OP44	POPI34	1	1
	4.23	10.54	68.87
	20	C	C15	POPI34	1	1
	2.49	10.19	64.15
	21	H	H5	POPI34	1	1
	2.69	11.29	64.08
	22	O	O5	POPI34	1	1
	1.25	9.74	64.72
	23	P	P5	POPI34	1	1
	0.17	10.87	65.06
	24	O	OP52	POPI34	1	1
	1.13	11.92	65.58
	25	O	OP53	POPI34	1	1
	-0.49	11.09	63.7
	26	O	OP54	POPI34	1	1
	-0.73	10.22	66.12
	27	C	C16	POPI34	1	1
	2.52	9.66	62.74
	28	H	H6	POPI34	1	1
	2.27	8.58	62.8
	29	O	O6	POPI34	1	1
	1.59	10.34	61.91
	30	H	HO6	POPI34	1	1
	1.12	9.72	61.37
	31	C	C11	POPI34	1	1
	3.87	9.88	62.12
	32	H	H1	POPI34	1	1
	4.04	10.98	62.06
	33	P	P	POPI34	1	1
	4.55	9.95	59.5
	34	O	O13	POPI34	1	1
	6.02	9.99	59.57
	35	O	O14	POPI34	1	1
	3.84	11.2	59.14
	36	O	O12	POPI34	1	1
	3.86	9.29	60.81
	37	O	O11	POPI34	1	1
	4.16	8.74	58.54
	38	C	C1	POPI34	1	1
	2.86	8.53	57.99
	39	H	HA	POPI34	1	1
	2.09	9.18	58.47
	40	H	HB	POPI34	1	1
	2.52	7.48	58.15
	41	C	C2	POPI34	1	1
	2.93	8.78	56.47
	42	H	HS	POPI34	1	1
	3.56	7.95	56.05
	43	O	O21	POPI34	1	1
	3.51	10.06	56.2
	44	C	C21	POPI34	1	1
	4.66	10.17	55.56
	45	O	O22	POPI34	1	1
	5.35	9.28	55.1
	46	C	C22	POPI34	1	1
	4.91	11.66	55.34
	47	H	H2R	POPI34	1	1
	5.45	12.09	56.2
	48	H	H2S	POPI34	1	1
	3.9	12.13	55.26
	49	C	C3	POPI34	1	1
	1.5	8.7	55.86
	50	H	HX	POPI34	1	1
	1.16	7.65	56.02
	51	H	HY	POPI34	1	1
	0.81	9.37	56.43
	52	O	O31	POPI34	1	1
	1.44	9.1	54.49
	53	C	C31	POPI34	1	1
	1.88	8.24	53.59
	54	O	O32	POPI34	1	1
	2.36	7.15	53.8
	55	C	C32	POPI34	1	1
	1.6	8.84	52.2
	56	H	H2X	POPI34	1	1
	0.52	8.72	51.99
	57	H	H2Y	POPI34	1	1
	2.15	8.21	51.47
	58	C	C23	POPI34	1	1
	5.68	11.99	54.06
	59	H	H3R	POPI34	1	1
	5.47	13.06	53.82
	60	H	H3S	POPI34	1	1
	5.31	11.38	53.2
	61	C	C24	POPI34	1	1
	7.18	11.81	54.2
	62	H	H4R	POPI34	1	1
	7.52	10.78	54.45
	63	H	H4S	POPI34	1	1
	7.63	12.54	54.92
	64	C	C25	POPI34	1	1
	7.78	12.02	52.84
	65	H	H5R	POPI34	1	1
	8.87	12.15	53.05
	66	H	H5S	POPI34	1	1
	7.26	12.93	52.45
	67	C	C26	POPI34	1	1
	7.63	10.89	51.82
	68	H	H6R	POPI34	1	1
	6.62	10.47	51.96
	69	H	H6S	POPI34	1	1
	8.37	10.12	52.11
	70	C	C27	POPI34	1	1
	7.71	11.24	50.31
	71	H	H7R	POPI34	1	1
	8.62	11.67	49.88
	72	H	H7S	POPI34	1	1
	6.95	12.02	50.09
	73	C	C28	POPI34	1	1
	7.73	9.99	49.43
	74	H	H8R	POPI34	1	1
	8.55	9.35	49.82
	75	H	H8S	POPI34	1	1
	8.03	10.33	48.41
	76	C	C29	POPI34	1	1
	6.41	9.3	49.45
	77	H	H91	POPI34	1	1
	6.22	8.7	50.35
	78	C	C210	POPI34	1	1
	5.46	9.4	48.51
	79	H	H101	POPI34	1	1
	4.51	8.9	48.68
	80	C	C211	POPI34	1	1
	5.49	10.22	47.23
	81	H	H11R	POPI34	1	1
	6.42	10.82	47.12
	82	H	H11S	POPI34	1	1
	4.6	10.83	47.21
	83	C	C212	POPI34	1	1
	5.33	9.5	45.94
	84	H	H12R	POPI34	1	1
	5.43	10.09	44.98
	85	H	H12S	POPI34	1	1
	4.57	8.67	45.87
	86	C	C213	POPI34	1	1
	6.53	8.81	45.94
	87	H	H13R	POPI34	1	1
	6.41	8.09	46.78
	88	H	H13S	POPI34	1	1
	7.51	9.38	46.07
	89	C	C214	POPI34	1	1
	6.57	8.25	44.6
	90	H	H14R	POPI34	1	1
	6.91	7.33	45.17
	91	H	H14S	POPI34	1	1
	7.28	8.98	44.18
	92	C	C215	POPI34	1	1
	5.5	7.87	43.52
	93	H	H15R	POPI34	1	1
	4.56	8.29	43.83
	94	H	H15S	POPI34	1	1
	5.35	6.97	44.18
	95	C	C216	POPI34	1	1
	5.65	7.73	41.79
	96	H	H16R	POPI34	1	1
	6.44	7.21	41.21
	97	H	H16S	POPI34	1	1
	6.1	8.63	41.42
	98	C	C217	POPI34	1	1
	4.87	6.77	40.73
	99	H	H17R	POPI34	1	1
	5.17	5.65	40.66
	100	H	H17S	POPI34	1	1
	5.15	6.76	39.67
	101	C	C218	POPI34	1	1
	3.41	7.12	40.96
	102	H	H18R	POPI34	1	1
	2.67	6.36	40.69
	103	H	H18S	POPI34	1	1
	3.13	7.33	42.02
	104	H	H18T	POPI34	1	1
	3.32	8.13	40.57
	105	C	C33	POPI34	1	1
	2.01	10.33	52.02
	106	H	H3X	POPI34	1	1
	3.1	10.48	52.1
	107	H	H3Y	POPI34	1	1
	1.48	11	52.74
	108	C	C34	POPI34	1	1
	1.61	10.78	50.63
	109	H	H4X	POPI34	1	1
	0.52	10.82	50.76
	110	H	H4Y	POPI34	1	1
	1.9	10.04	49.86
	111	C	C35	POPI34	1	1
	2.08	12.16	50.22
	112	H	H5X	POPI34	1	1
	3.19	12.2	50.27
	113	H	H5Y	POPI34	1	1
	1.71	12.89	50.99
	114	C	C36	POPI34	1	1
	1.59	12.62	48.83
	115	H	H6X	POPI34	1	1
	1.74	13.69	48.84
	116	H	H6Y	POPI34	1	1
	0.5	12.57	48.7
	117	C	C37	POPI34	1	1
	2.35	12.03	47.62
	118	H	H7X	POPI34	1	1
	2.39	10.93	47.7
	119	H	H7Y	POPI34	1	1
	3.4	12.4	47.65
	120	C	C38	POPI34	1	1
	1.8	12.41	46.22
	121	H	H8X	POPI34	1	1
	1.46	13.45	46.22
	122	H	H8Y	POPI34	1	1
	0.86	11.91	45.97
	123	C	C39	POPI34	1	1
	2.87	12.15	45.13
	124	H	H9X	POPI34	1	1
	3.04	11.06	45.07
	125	H	H9Y	POPI34	1	1
	3.85	12.61	45.41
	126	C	C310	POPI34	1	1
	2.44	12.71	43.78
	127	H	H10X	POPI34	1	1
	2.76	13.74	43.71
	128	H	H10Y	POPI34	1	1
	1.35	12.85	43.76
	129	C	C311	POPI34	1	1
	2.83	11.91	42.55
	130	H	H11X	POPI34	1	1
	2.33	12.39	41.67
	131	H	H11Y	POPI34	1	1
	2.43	10.89	42.66
	132	C	C312	POPI34	1	1
	4.33	11.75	42.35
	133	H	H12X	POPI34	1	1
	4.87	11.47	43.27
	134	H	H12Y	POPI34	1	1
	4.72	12.64	41.84
	135	C	C313	POPI34	1	1
	4.71	10.82	41.28
	136	H	H13X	POPI34	1	1
	4.32	9.79	41.44
	137	H	H13Y	POPI34	1	1
	5.82	10.76	41.19
	138	C	C314	POPI34	1	1
	4.09	11.43	40.09
	139	H	H14X	POPI34	1	1
	4.6	12.3	39.59
	140	H	H14Y	POPI34	1	1
	2.97	11.54	40.1
	141	C	C315	POPI34	1	1
	4.3	10.37	39.21
	142	H	H15X	POPI34	1	1
	3.71	11.01	38.49
	143	H	H15Y	POPI34	1	1
	3.74	9.43	39.35
	144	C	C316	POPI34	1	1
	5.73	10.08	38.87
	145	H	H16X	POPI34	1	1
	6.42	9.45	39.45
	146	H	H16Y	POPI34	1	1
	5.66	9.23	38.19
	147	H	H16Z	POPI34	1	1
	6.2	10.96	38.37

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

_cell.entry_id	POPI34
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

