# --------------------------------------------------------------------------
#
# 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 POPI2C.gro
#
#---------------------------------------------------------------------------

data_POPI2C

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

_entry.id	POPI2C

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

_chemical.entry_id	POPI2C
_chemical.name_common	'POPI2C'

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

_chemical_formula.entry_id	POPI2C
_chemical_formula.structural	'C43H83O19P3'

###############
## 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	POPI2C	1	1
	21	37.34	62.38
	2	H	H2	POPI2C	1	1
	20.56	38.1	61.68
	3	O	O2	POPI2C	1	1
	22.29	37.61	62.73
	4	H	HO2	POPI2C	1	1
	22.1	38.4	63.27
	5	C	C13	POPI2C	1	1
	20.15	37.52	63.58
	6	H	H3	POPI2C	1	1
	19.08	37.37	63.27
	7	O	O3	POPI2C	1	1
	20.5	38.96	64.02
	8	P	P3	POPI2C	1	1
	21.79	40.06	64.52
	9	O	OP32	POPI2C	1	1
	21.93	40.64	65.99
	10	H	HP32	POPI2C	1	1
	21.22	40.35	66.56
	11	O	OP33	POPI2C	1	1
	21.54	41.34	63.74
	12	O	OP34	POPI2C	1	1
	23.19	39.53	64.16
	13	C	C14	POPI2C	1	1
	20.5	36.3	64.5
	14	H	H4	POPI2C	1	1
	21.53	36.25	64.86
	15	O	O4	POPI2C	1	1
	19.56	36.58	65.56
	16	P	P4	POPI2C	1	1
	20.15	37.51	66.85
	17	O	OP42	POPI2C	1	1
	19.56	36.79	68.04
	18	O	OP43	POPI2C	1	1
	19.7	38.98	66.8
	19	O	OP44	POPI2C	1	1
	21.68	37.44	66.8
	20	C	C15	POPI2C	1	1
	20.4	34.84	63.81
	21	H	H5	POPI2C	1	1
	19.43	34.53	63.39
	22	O	O5	POPI2C	1	1
	20.72	33.76	64.72
	23	H	HO5	POPI2C	1	1
	20.72	32.9	64.3
	24	C	C16	POPI2C	1	1
	21.38	34.88	62.59
	25	H	H6	POPI2C	1	1
	22.4	35.12	63.01
	26	O	O6	POPI2C	1	1
	21.5	33.63	61.9
	27	H	HO6	POPI2C	1	1
	21.08	33.7	61.05
	28	C	C11	POPI2C	1	1
	20.94	36.01	61.64
	29	H	H1	POPI2C	1	1
	19.92	35.75	61.27
	30	P	P	POPI2C	1	1
	21.39	36.27	58.99
	31	O	O13	POPI2C	1	1
	20.35	37.29	58.78
	32	O	O14	POPI2C	1	1
	21.13	34.86	58.64
	33	O	O12	POPI2C	1	1
	21.85	36.27	60.55
	34	O	O11	POPI2C	1	1
	22.75	36.78	58.35
	35	C	C1	POPI2C	1	1
	23.29	38.09	58.61
	36	H	HA	POPI2C	1	1
	24.13	38	59.32
	37	H	HB	POPI2C	1	1
	22.53	38.79	59.06
	38	C	C2	POPI2C	1	1
	23.81	38.81	57.32
	39	H	HS	POPI2C	1	1
	24.08	39.85	57.63
	40	O	O21	POPI2C	1	1
	22.78	38.84	56.33
	41	C	C21	POPI2C	1	1
	23.01	39.61	55.27
	42	O	O22	POPI2C	1	1
	23.84	40.49	55.18
	43	C	C22	POPI2C	1	1
	22.08	39.13	54.14
	44	H	H2R	POPI2C	1	1
	21.05	39.44	54.39
	45	H	H2S	POPI2C	1	1
	22.13	38.02	54.15
	46	C	C3	POPI2C	1	1
	25.09	38.11	56.77
	47	H	HX	POPI2C	1	1
	25.54	38.7	55.94
	48	H	HY	POPI2C	1	1
	25.82	38.11	57.61
	49	O	O31	POPI2C	1	1
	24.83	36.73	56.45
	50	C	C31	POPI2C	1	1
	24.94	36.34	55.2
	51	O	O32	POPI2C	1	1
	25.25	37.04	54.24
	52	C	C32	POPI2C	1	1
	24.71	34.83	55.12
	53	H	H2X	POPI2C	1	1
	24.78	34.38	56.13
	54	H	H2Y	POPI2C	1	1
	25.58	34.45	54.53
	55	C	C23	POPI2C	1	1
	22.44	39.64	52.72
	56	H	H3R	POPI2C	1	1
	23.47	39.34	52.44
	57	H	H3S	POPI2C	1	1
	22.42	40.76	52.73
	58	C	C24	POPI2C	1	1
	21.46	39.12	51.65
	59	H	H4R	POPI2C	1	1
	21.78	39.45	50.64
	60	H	H4S	POPI2C	1	1
	20.48	39.62	51.86
	61	C	C25	POPI2C	1	1
	21.21	37.6	51.63
	62	H	H5R	POPI2C	1	1
	20.37	37.39	50.93
	63	H	H5S	POPI2C	1	1
	20.85	37.28	52.63
	64	C	C26	POPI2C	1	1
	22.39	36.68	51.24
	65	H	H6R	POPI2C	1	1
	22.03	35.63	51.27
	66	H	H6S	POPI2C	1	1
	23.18	36.77	52.03
	67	C	C27	POPI2C	1	1
	23.1	36.94	49.88
	68	H	H7R	POPI2C	1	1
	23.93	36.2	49.79
	69	H	H7S	POPI2C	1	1
	23.55	37.95	49.94
	70	C	C28	POPI2C	1	1
	22.23	36.86	48.6
	71	H	H8R	POPI2C	1	1
	21.27	37.39	48.8
	72	H	H8S	POPI2C	1	1
	21.98	35.8	48.38
	73	C	C29	POPI2C	1	1
	22.93	37.47	47.41
	74	H	H91	POPI2C	1	1
	23.99	37.73	47.58
	75	C	C210	POPI2C	1	1
	22.41	37.71	46.19
	76	H	H101	POPI2C	1	1
	23.05	38.17	45.42
	77	C	C211	POPI2C	1	1
	20.99	37.41	45.75
	78	H	H11R	POPI2C	1	1
	20.28	37.62	46.57
	79	H	H11S	POPI2C	1	1
	20.89	36.33	45.49
	80	C	C212	POPI2C	1	1
	20.53	38.23	44.52
	81	H	H12R	POPI2C	1	1
	20.7	39.32	44.68
	82	H	H12S	POPI2C	1	1
	19.43	38.08	44.39
	83	C	C213	POPI2C	1	1
	21.22	37.79	43.24
	84	H	H13R	POPI2C	1	1
	20.9	36.75	43
	85	H	H13S	POPI2C	1	1
	22.32	37.78	43.38
	86	C	C214	POPI2C	1	1
	21	38.73	42.06
	87	H	H14R	POPI2C	1	1
	21.27	39.77	42.31
	88	H	H14S	POPI2C	1	1
	19.9	38.71	41.89
	89	C	C215	POPI2C	1	1
	21.89	38.24	40.9
	90	H	H15R	POPI2C	1	1
	21.48	38.05	39.93
	91	H	H15S	POPI2C	1	1
	22.2	37.21	41.11
	92	C	C216	POPI2C	1	1
	23.05	39.11	40.44
	93	H	H16R	POPI2C	1	1
	23.63	39.29	41.36
	94	H	H16S	POPI2C	1	1
	22.73	40.08	39.99
	95	C	C217	POPI2C	1	1
	23.84	38.28	39.43
	96	H	H17R	POPI2C	1	1
	23.92	37.25	39.85
	97	H	H17S	POPI2C	1	1
	24.87	38.67	39.34
	98	C	C218	POPI2C	1	1
	23.18	38.2	38.04
	99	H	H18R	POPI2C	1	1
	22.11	37.93	38.11
	100	H	H18S	POPI2C	1	1
	23.23	39.19	37.54
	101	H	H18T	POPI2C	1	1
	23.66	37.42	37.4
	102	C	C33	POPI2C	1	1
	23.45	34.36	54.37
	103	H	H3X	POPI2C	1	1
	23.75	33.37	53.95
	104	H	H3Y	POPI2C	1	1
	23.2	35	53.5
	105	C	C34	POPI2C	1	1
	22.22	34.05	55.23
	106	H	H4X	POPI2C	1	1
	21.58	34.92	55.46
	107	H	H4Y	POPI2C	1	1
	22.59	33.68	56.19
	108	C	C35	POPI2C	1	1
	21.41	32.92	54.61
	109	H	H5X	POPI2C	1	1
	20.56	32.63	55.25
	110	H	H5Y	POPI2C	1	1
	22.06	32.02	54.49
	111	C	C36	POPI2C	1	1
	20.9	33.31	53.25
	112	H	H6X	POPI2C	1	1
	21.71	33.61	52.57
	113	H	H6Y	POPI2C	1	1
	20.2	34.18	53.33
	114	C	C37	POPI2C	1	1
	20.3	32.09	52.61
	115	H	H7X	POPI2C	1	1
	19.32	32.32	52.85
	116	H	H7Y	POPI2C	1	1
	20.23	31.17	53.2
	117	C	C38	POPI2C	1	1
	20.69	31.82	51.15
	118	H	H8X	POPI2C	1	1
	20.43	30.81	50.79
	119	H	H8Y	POPI2C	1	1
	21.78	31.83	51.22
	120	C	C39	POPI2C	1	1
	20.26	32.73	50
	121	H	H9X	POPI2C	1	1
	20.27	33.8	50.32
	122	H	H9Y	POPI2C	1	1
	19.24	32.46	49.65
	123	C	C310	POPI2C	1	1
	21.11	32.43	48.8
	124	H	H10X	POPI2C	1	1
	21.03	31.33	48.62
	125	H	H10Y	POPI2C	1	1
	22.14	32.72	49.06
	126	C	C311	POPI2C	1	1
	20.72	33.15	47.54
	127	H	H11X	POPI2C	1	1
	20.91	34.24	47.62
	128	H	H11Y	POPI2C	1	1
	19.66	32.99	47.45
	129	C	C312	POPI2C	1	1
	21.34	32.47	46.34
	130	H	H12X	POPI2C	1	1
	20.86	31.46	46.24
	131	H	H12Y	POPI2C	1	1
	22.4	32.32	46.62
	132	C	C313	POPI2C	1	1
	21.23	33.26	45.03
	133	H	H13X	POPI2C	1	1
	21.85	34.18	45.1
	134	H	H13Y	POPI2C	1	1
	20.17	33.56	44.87
	135	C	C314	POPI2C	1	1
	21.69	32.45	43.8
	136	H	H14X	POPI2C	1	1
	21.11	31.5	43.98
	137	H	H14Y	POPI2C	1	1
	22.74	32.13	43.88
	138	C	C315	POPI2C	1	1
	21.69	33.35	42.49
	139	H	H15X	POPI2C	1	1
	22.39	34.23	42.63
	140	H	H15Y	POPI2C	1	1
	20.7	33.83	42.34
	141	C	C316	POPI2C	1	1
	22.17	32.75	41.14
	142	H	H16X	POPI2C	1	1
	21.5	32.09	40.7
	143	H	H16Y	POPI2C	1	1
	22.17	33.41	40.25
	144	H	H16Z	POPI2C	1	1
	23.07	32.13	41.24

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

_cell.entry_id	POPI2C
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

