# --------------------------------------------------------------------------
#
# 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 POPI33.gro
#
#---------------------------------------------------------------------------

data_POPI33

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

_entry.id	POPI33

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

_chemical.entry_id	POPI33
_chemical.name_common	'POPI33'

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

_chemical_formula.entry_id	POPI33
_chemical_formula.structural	'C43H90O22P4'

###############
## 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	POPI33	1	1
	15.17	27.86	62.62
	2	H	H2	POPI33	1	1
	14.32	27.31	62.16
	3	O	O2	POPI33	1	1
	14.97	29.23	62.28
	4	H	HO2	POPI33	1	1
	14.03	29.41	62.25
	5	C	C13	POPI33	1	1
	15.14	27.54	64.12
	6	H	H3	POPI33	1	1
	15.25	26.43	64.26
	7	O	O3	POPI33	1	1
	13.84	28.01	64.59
	8	P	P3	POPI33	1	1
	12.71	26.98	65.14
	9	O	OP32	POPI33	1	1
	11.9	26.73	63.71
	10	H	HP32	POPI33	1	1
	12.58	26.47	63.08
	11	O	OP33	POPI33	1	1
	13.26	25.65	65.57
	12	O	OP34	POPI33	1	1
	11.66	27.61	66.07
	13	C	C14	POPI33	1	1
	16.39	28.12	64.81
	14	H	H4	POPI33	1	1
	16.39	29.23	64.74
	15	O	O4	POPI33	1	1
	16.46	27.62	66.17
	16	P	P4	POPI33	1	1
	16.33	28.58	67.5
	17	O	OP42	POPI33	1	1
	14.91	29.12	67.49
	18	O	OP43	POPI33	1	1
	17.45	29.58	67.56
	19	O	OP44	POPI33	1	1
	16.47	27.69	68.76
	20	C	C15	POPI33	1	1
	17.68	27.58	64.14
	21	H	H5	POPI33	1	1
	17.69	26.47	64.22
	22	O	O5	POPI33	1	1
	18.86	28.11	64.78
	23	P	P5	POPI33	1	1
	19.97	27.12	65.52
	24	O	OP52	POPI33	1	1
	21.15	27.99	65.95
	25	O	OP53	POPI33	1	1
	19.38	26.48	66.8
	26	O	OP54	POPI33	1	1
	20.35	26.02	64.52
	27	C	C16	POPI33	1	1
	17.69	27.91	62.64
	28	H	H6	POPI33	1	1
	17.7	29.03	62.52
	29	O	O6	POPI33	1	1
	18.82	27.32	62
	30	H	HO6	POPI33	1	1
	19.05	27.85	61.25
	31	C	C11	POPI33	1	1
	16.44	27.33	61.98
	32	H	H1	POPI33	1	1
	16.49	26.24	62.27
	33	P	P	POPI33	1	1
	16.45	26.16	59.6
	34	O	O13	POPI33	1	1
	15.16	25.46	59.89
	35	O	O14	POPI33	1	1
	17.71	25.4	59.8
	36	O	O12	POPI33	1	1
	16.39	27.53	60.53
	37	O	O11	POPI33	1	1
	16.42	26.7	58.14
	38	C	C1	POPI33	1	1
	17.24	27.75	57.62
	39	H	HA	POPI33	1	1
	18.16	27.32	57.14
	40	H	HB	POPI33	1	1
	17.58	28.46	58.41
	41	C	C2	POPI33	1	1
	16.4	28.51	56.57
	42	H	HS	POPI33	1	1
	15.55	28.99	57.11
	43	O	O21	POPI33	1	1
	15.98	27.56	55.56
	44	C	C21	POPI33	1	1
	14.85	27.79	54.93
	45	O	O22	POPI33	1	1
	14.01	28.62	55.24
	46	C	C22	POPI33	1	1
	14.77	26.84	53.72
	47	H	H2R	POPI33	1	1
	14.48	25.84	54.09
	48	H	H2S	POPI33	1	1
	15.79	26.73	53.29
	49	C	C3	POPI33	1	1
	17.12	29.69	55.91
	50	H	HX	POPI33	1	1
	16.45	30.2	55.21
	51	H	HY	POPI33	1	1
	17.48	30.39	56.7
	52	O	O31	POPI33	1	1
	18.15	29.17	55.14
	53	C	C31	POPI33	1	1
	19.29	29.56	55.43
	54	O	O32	POPI33	1	1
	19.72	30.25	56.34
	55	C	C32	POPI33	1	1
	20.02	29.01	54.3
	56	H	H2X	POPI33	1	1
	20.72	28.36	54.89
	57	H	H2Y	POPI33	1	1
	20.57	29.93	54.07
	58	C	C23	POPI33	1	1
	13.75	27.34	52.66
	59	H	H3R	POPI33	1	1
	13.67	28.45	52.68
	60	H	H3S	POPI33	1	1
	12.76	26.96	53
	61	C	C24	POPI33	1	1
	14.01	26.87	51.21
	62	H	H4R	POPI33	1	1
	13.08	26.95	50.6
	63	H	H4S	POPI33	1	1
	14.37	25.83	51.18
	64	C	C25	POPI33	1	1
	15.06	27.65	50.44
	65	H	H5R	POPI33	1	1
	15.18	27.23	49.4
	66	H	H5S	POPI33	1	1
	16.04	27.67	50.96
	67	C	C26	POPI33	1	1
	14.69	29.07	50.28
	68	H	H6R	POPI33	1	1
	14.76	29.62	51.25
	69	H	H6S	POPI33	1	1
	13.62	29.09	50
	70	C	C27	POPI33	1	1
	15.62	29.71	49.25
	71	H	H7R	POPI33	1	1
	15.45	29.45	48.17
	72	H	H7S	POPI33	1	1
	16.7	29.55	49.42
	73	C	C28	POPI33	1	1
	15.48	31.14	49.46
	74	H	H8R	POPI33	1	1
	16.33	31.68	48.99
	75	H	H8S	POPI33	1	1
	15.54	31.46	50.53
	76	C	C29	POPI33	1	1
	14.1	31.15	48.87
	77	H	H91	POPI33	1	1
	13.34	31.03	49.67
	78	C	C210	POPI33	1	1
	13.7	31.54	47.65
	79	H	H101	POPI33	1	1
	12.76	32.16	47.63
	80	C	C211	POPI33	1	1
	14.44	32.08	46.52
	81	H	H11R	POPI33	1	1
	15.25	32.84	46.45
	82	H	H11S	POPI33	1	1
	13.8	32.88	46.47
	83	C	C212	POPI33	1	1
	14.28	31.09	45.52
	84	H	H12R	POPI33	1	1
	13.18	30.88	45.36
	85	H	H12S	POPI33	1	1
	14.87	30.3	46.03
	86	C	C213	POPI33	1	1
	14.92	31.63	44.3
	87	H	H13R	POPI33	1	1
	15.02	32.71	44.33
	88	H	H13S	POPI33	1	1
	14.29	31.36	43.44
	89	C	C214	POPI33	1	1
	16.4	31.73	44.31
	90	H	H14R	POPI33	1	1
	16.7	31.93	45.37
	91	H	H14S	POPI33	1	1
	16.77	32.62	43.74
	92	C	C215	POPI33	1	1
	16.77	30.48	43.63
	93	H	H15R	POPI33	1	1
	16.49	30.66	42.57
	94	H	H15S	POPI33	1	1
	16.1	29.67	44.02
	95	C	C216	POPI33	1	1
	18.22	30.17	43.84
	96	H	H16R	POPI33	1	1
	18.37	29.85	44.9
	97	H	H16S	POPI33	1	1
	18.83	31.08	43.67
	98	C	C217	POPI33	1	1
	18.7	29.05	42.94
	99	H	H17R	POPI33	1	1
	18.3	28.1	43.35
	100	H	H17S	POPI33	1	1
	19.79	29.02	43.06
	101	C	C218	POPI33	1	1
	18.31	29.09	41.46
	102	H	H18R	POPI33	1	1
	19.04	28.49	40.88
	103	H	H18S	POPI33	1	1
	17.31	28.62	41.37
	104	H	H18T	POPI33	1	1
	18.28	30.11	41.04
	105	C	C33	POPI33	1	1
	19.41	28.38	52.83
	106	H	H3X	POPI33	1	1
	18.87	29.17	52.35
	107	H	H3Y	POPI33	1	1
	18.7	27.7	53.35
	108	C	C34	POPI33	1	1
	20.22	27.79	51.4
	109	H	H4X	POPI33	1	1
	21.11	27.05	51.4
	110	H	H4Y	POPI33	1	1
	21.35	27.47	51.09
	111	C	C35	POPI33	1	1
	19.34	27.04	50.78
	112	H	H5X	POPI33	1	1
	19	26.14	51.36
	113	H	H5Y	POPI33	1	1
	20.13	26.9	50.03
	114	C	C36	POPI33	1	1
	18.69	27.72	49.73
	115	H	H6X	POPI33	1	1
	19.48	28.15	49.02
	116	H	H6Y	POPI33	1	1
	18.25	28.46	50.41
	117	C	C37	POPI33	1	1
	17.69	26.78	49.17
	118	H	H7X	POPI33	1	1
	17.12	27.24	48.37
	119	H	H7Y	POPI33	1	1
	17.16	26.27	50.03
	120	C	C38	POPI33	1	1
	18.22	25.65	48.45
	121	H	H8X	POPI33	1	1
	18.05	24.85	49.24
	122	H	H8Y	POPI33	1	1
	19.26	25.93	48.17
	123	C	C39	POPI33	1	1
	17.65	25.04	47.25
	124	H	H9X	POPI33	1	1
	18.29	24.18	46.86
	125	H	H9Y	POPI33	1	1
	17.49	25.82	46.48
	126	C	C310	POPI33	1	1
	16.53	24.32	47.53
	127	H	H10X	POPI33	1	1
	16.1	24.6	48.49
	128	H	H10Y	POPI33	1	1
	16.98	23.33	47.86
	129	C	C311	POPI33	1	1
	15.71	24.66	46.23
	130	H	H11X	POPI33	1	1
	15.56	25.74	46.11
	131	H	H11Y	POPI33	1	1
	14.75	24.35	46.68
	132	C	C312	POPI33	1	1
	16.1	24.09	44.76
	133	H	H12X	POPI33	1	1
	15.99	23.04	44.53
	134	H	H12Y	POPI33	1	1
	17.16	24.13	44.46
	135	C	C313	POPI33	1	1
	15.08	24.17	43.64
	136	H	H13X	POPI33	1	1
	14.07	24.22	44.08
	137	H	H13Y	POPI33	1	1
	15.05	23.26	42.98
	138	C	C314	POPI33	1	1
	15.66	25.32	42.91
	139	H	H14X	POPI33	1	1
	16.52	24.94	42.31
	140	H	H14Y	POPI33	1	1
	16.08	26	43.7
	141	C	C315	POPI33	1	1
	14.68	26.08	42.07
	142	H	H15X	POPI33	1	1
	14.4	25.47	41.19
	143	H	H15Y	POPI33	1	1
	15.26	26.95	41.71
	144	C	C316	POPI33	1	1
	13.41	26.54	42.79
	145	H	H16X	POPI33	1	1
	12.89	27.21	42.09
	146	H	H16Y	POPI33	1	1
	12.73	25.7	43.06
	147	H	H16Z	POPI33	1	1
	13.66	27.08	43.73

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

_cell.entry_id	POPI33
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

