# --------------------------------------------------------------------------
#
# 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 POPI35.gro
#
#---------------------------------------------------------------------------

data_POPI35

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

_entry.id	POPI35

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

_chemical.entry_id	POPI35
_chemical.name_common	'POPI35'

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

_chemical_formula.entry_id	POPI35
_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	POPI35	1	1
	5.12	1.97	62.45
	2	H	H2	POPI35	1	1
	5.86	2.68	62.01
	3	O	O2	POPI35	1	1
	5.85	0.85	62.87
	4	H	HO2	POPI35	1	1
	6.48	0.83	62.14
	5	C	C13	POPI35	1	1
	4.53	2.64	63.67
	6	H	H3	POPI35	1	1
	4.03	3.54	63.28
	7	O	O3	POPI35	1	1
	5.54	2.95	64.61
	8	P	P3	POPI35	1	1
	6.11	4.45	64.74
	9	O	OP32	POPI35	1	1
	7.38	4.05	65.47
	10	O	OP33	POPI35	1	1
	5	5.27	65.42
	11	O	OP34	POPI35	1	1
	6.38	4.73	63.27
	12	C	C14	POPI35	1	1
	3.47	1.77	64.34
	13	H	H4	POPI35	1	1
	3.93	0.78	64.62
	14	O	O4	POPI35	1	1
	2.93	2.44	65.49
	15	P	P4	POPI35	1	1
	3.2	2.03	67.07
	16	O	OP42	POPI35	1	1
	1.84	1.76	67.72
	17	O	OP43	POPI35	1	1
	3.67	3.24	67.82
	18	O	OP44	POPI35	1	1
	4.1	0.79	67.18
	19	C	C15	POPI35	1	1
	2.35	1.57	63.34
	20	H	H5	POPI35	1	1
	1.81	2.51	63.1
	21	O	O5	POPI35	1	1
	1.57	0.55	63.97
	22	P	P5	POPI35	1	1
	0.29	0.83	64.94
	23	O	OP52	POPI35	1	1
	-0.34	0.17	63.7
	24	H	HP52	POPI35	1	1
	-1.24	0	63.39
	25	O	OP53	POPI35	1	1
	-0.08	-0.09	66.07
	26	O	OP54	POPI35	1	1
	-0.11	2.29	64.99
	27	C	C16	POPI35	1	1
	2.92	0.98	62.06
	28	H	H6	POPI35	1	1
	3.42	0.12	62.34
	29	O	O6	POPI35	1	1
	1.89	0.69	61.12
	30	H	HO6	POPI35	1	1
	1.82	-0.29	61.11
	31	C	C11	POPI35	1	1
	4.02	1.75	61.4
	32	H	H1	POPI35	1	1
	3.54	2.67	61.01
	33	P	P	POPI35	1	1
	5.33	1.68	59.11
	34	O	O13	POPI35	1	1
	6.58	2.2	59.72
	35	O	O14	POPI35	1	1
	4.33	2.61	58.53
	36	O	O12	POPI35	1	1
	4.54	0.9	60.32
	37	O	O11	POPI35	1	1
	5.63	0.53	58.02
	38	C	C1	POPI35	1	1
	5.39	-0.89	57.93
	39	H	HA	POPI35	1	1
	5.11	-1.29	58.93
	40	H	HB	POPI35	1	1
	6.34	-1.34	57.57
	41	C	C2	POPI35	1	1
	4.41	-1.49	56.84
	42	H	HS	POPI35	1	1
	4.39	-2.59	56.73
	43	O	O21	POPI35	1	1
	4.89	-0.9	55.55
	44	C	C21	POPI35	1	1
	4.11	-0.86	54.42
	45	O	O22	POPI35	1	1
	3.15	-1.58	54.3
	46	C	C22	POPI35	1	1
	4.28	0.45	53.57
	47	H	H2R	POPI35	1	1
	4.94	1.2	54.04
	48	H	H2S	POPI35	1	1
	3.29	0.97	53.55
	49	C	C3	POPI35	1	1
	2.92	-1.08	57.5
	50	H	HX	POPI35	1	1
	2.11	-1.46	56.82
	51	H	HY	POPI35	1	1
	2.99	-1.7	58.41
	52	O	O31	POPI35	1	1
	2.67	0.27	58.1
	53	C	C31	POPI35	1	1
	1.46	0.91	57.9
	54	O	O32	POPI35	1	1
	0.46	0.31	58.17
	55	C	C32	POPI35	1	1
	1.38	2.42	57.4
	56	H	H2X	POPI35	1	1
	2.16	2.65	56.65
	57	H	H2Y	POPI35	1	1
	1.57	3.1	58.24
	58	C	C23	POPI35	1	1
	4.64	0.15	52.12
	59	H	H3R	POPI35	1	1
	3.75	-0.33	51.63
	60	H	H3S	POPI35	1	1
	5.47	-0.59	52.12
	61	C	C24	POPI35	1	1
	5.02	1.44	51.38
	62	H	H4R	POPI35	1	1
	5.57	2.09	52.09
	63	H	H4S	POPI35	1	1
	4.09	1.98	51.13
	64	C	C25	POPI35	1	1
	5.93	1.25	50.15
	65	H	H5R	POPI35	1	1
	6.73	0.55	50.46
	66	H	H5S	POPI35	1	1
	6.41	2.21	49.86
	67	C	C26	POPI35	1	1
	5.24	0.68	48.91
	68	H	H6R	POPI35	1	1
	4.72	1.51	48.36
	69	H	H6S	POPI35	1	1
	4.48	-0.08	49.2
	70	C	C27	POPI35	1	1
	6.2	0.02	47.92
	71	H	H7R	POPI35	1	1
	6.68	-0.86	48.39
	72	H	H7S	POPI35	1	1
	6.97	0.77	47.62
	73	C	C28	POPI35	1	1
	5.45	-0.42	46.66
	74	H	H8R	POPI35	1	1
	4.97	0.5	46.25
	75	H	H8S	POPI35	1	1
	4.63	-1.1	46.96
	76	C	C29	POPI35	1	1
	6.43	-1.05	45.7
	77	H	H91	POPI35	1	1
	7.19	-1.72	46.13
	78	C	C210	POPI35	1	1
	6.5	-0.8	44.39
	79	H	H101	POPI35	1	1
	7.24	-1.35	43.79
	80	C	C211	POPI35	1	1
	5.62	0.16	43.63
	81	H	H11R	POPI35	1	1
	4.72	0.45	44.21
	82	H	H11S	POPI35	1	1
	5.23	-0.34	42.72
	83	C	C212	POPI35	1	1
	6.34	1.48	43.28
	84	H	H12R	POPI35	1	1
	7.05	1.83	44.05
	85	H	H12S	POPI35	1	1
	5.55	2.27	43.15
	86	C	C213	POPI35	1	1
	7.12	1.31	41.97
	87	H	H13R	POPI35	1	1
	6.26	1.17	41.32
	88	H	H13S	POPI35	1	1
	7.76	0.42	41.97
	89	C	C214	POPI35	1	1
	7.96	2.44	41.42
	90	H	H14R	POPI35	1	1
	8.35	2.25	40.42
	91	H	H14S	POPI35	1	1
	8.8	2.6	42.15
	92	C	C215	POPI35	1	1
	7.05	3.61	41.2
	93	H	H15R	POPI35	1	1
	6.01	3.3	41.11
	94	H	H15S	POPI35	1	1
	7.29	4.3	40.34
	95	C	C216	POPI35	1	1
	7.18	4.25	42.5
	96	H	H16R	POPI35	1	1
	8.21	4.5	42.17
	97	H	H16S	POPI35	1	1
	7.31	3.87	43.52
	98	C	C217	POPI35	1	1
	6.14	5.22	42.74
	99	H	H17R	POPI35	1	1
	6.8	5.99	42.34
	100	H	H17S	POPI35	1	1
	6.5	5.86	43.47
	101	C	C218	POPI35	1	1
	4.51	5.14	42.82
	102	H	H18R	POPI35	1	1
	3.85	4.57	43.43
	103	H	H18S	POPI35	1	1
	4.11	6.14	43.1
	104	H	H18T	POPI35	1	1
	3.98	4.92	41.87
	105	C	C33	POPI35	1	1
	0.03	2.9	56.75
	106	H	H3X	POPI35	1	1
	-0.49	3.58	57.46
	107	H	H3Y	POPI35	1	1
	-0.64	2.05	56.48
	108	C	C34	POPI35	1	1
	0.21	3.77	55.5
	109	H	H4X	POPI35	1	1
	1	4.54	55.66
	110	H	H4Y	POPI35	1	1
	-0.76	4.29	55.29
	111	C	C35	POPI35	1	1
	0.59	2.95	54.29
	112	H	H5X	POPI35	1	1
	-0.25	2.25	54.04
	113	H	H5Y	POPI35	1	1
	1.52	2.37	54.46
	114	C	C36	POPI35	1	1
	0.89	3.74	53.07
	115	H	H6X	POPI35	1	1
	1.87	4.22	52.95
	116	H	H6Y	POPI35	1	1
	0.13	4.56	52.91
	117	C	C37	POPI35	1	1
	0.76	2.7	51.99
	118	H	H7X	POPI35	1	1
	1.32	3.23	51.2
	119	H	H7Y	POPI35	1	1
	-0.33	2.59	51.96
	120	C	C38	POPI35	1	1
	1.29	1.34	51.69
	121	H	H8X	POPI35	1	1
	0.83	0.68	52.44
	122	H	H8Y	POPI35	1	1
	2.35	1.58	51.83
	123	C	C39	POPI35	1	1
	1.04	0.82	50.23
	124	H	H9X	POPI35	1	1
	-0.03	0.78	49.96
	125	H	H9Y	POPI35	1	1
	1.36	-0.24	50.22
	126	C	C310	POPI35	1	1
	1.81	1.53	49.09
	127	H	H10X	POPI35	1	1
	2.87	1.34	49.29
	128	H	H10Y	POPI35	1	1
	1.73	2.63	49.09
	129	C	C311	POPI35	1	1
	1.39	1.11	47.68
	130	H	H11X	POPI35	1	1
	0.29	0.99	47.65
	131	H	H11Y	POPI35	1	1
	1.88	0.12	47.54
	132	C	C312	POPI35	1	1
	1.82	2.12	46.59
	133	H	H12X	POPI35	1	1
	2.93	2.16	46.56
	134	H	H12Y	POPI35	1	1
	1.44	3.13	46.84
	135	C	C313	POPI35	1	1
	1.36	1.87	45.14
	136	H	H13X	POPI35	1	1
	0.24	1.8	45.08
	137	H	H13Y	POPI35	1	1
	1.82	0.93	44.84
	138	C	C314	POPI35	1	1
	1.91	2.96	44.21
	139	H	H14X	POPI35	1	1
	3	3.08	44.4
	140	H	H14Y	POPI35	1	1
	1.4	3.92	44.49
	141	C	C315	POPI35	1	1
	1.66	2.79	42.7
	142	H	H15X	POPI35	1	1
	1.84	3.78	42.23
	143	H	H15Y	POPI35	1	1
	0.58	2.53	42.58
	144	C	C316	POPI35	1	1
	2.51	1.75	41.94
	145	H	H16X	POPI35	1	1
	3.59	1.97	42.05
	146	H	H16Y	POPI35	1	1
	2.28	0.74	42.34
	147	H	H16Z	POPI35	1	1
	2.29	1.75	40.85

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

_cell.entry_id	POPI35
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

