# --------------------------------------------------------------------------
#
# 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 POPI15.gro
#
#---------------------------------------------------------------------------

data_POPI15

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

_entry.id	POPI15

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

_chemical.entry_id	POPI15
_chemical.name_common	'POPI15'

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

_chemical_formula.entry_id	POPI15
_chemical_formula.structural	'C43H82O16P2'

###############
## 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	POPI15	1	1
	37.19	9.95	61.68
	2	H	H2	POPI15	1	1
	37.84	10.72	61.17
	3	O	O2	POPI15	1	1
	37.35	8.67	61
	4	H	HO2	POPI15	1	1
	38.2	8.36	61.4
	5	C	C13	POPI15	1	1
	37.67	9.86	63.09
	6	H	H3	POPI15	1	1
	37.67	10.83	63.65
	7	O	O3	POPI15	1	1
	39.01	9.48	62.69
	8	H	HO3	POPI15	1	1
	39.6	10.19	62.45
	9	C	C14	POPI15	1	1
	36.74	8.86	63.9
	10	H	H4	POPI15	1	1
	36.9	7.82	63.54
	11	O	O4	POPI15	1	1
	36.97	8.8	65.31
	12	H	HO4	POPI15	1	1
	36.72	9.57	65.81
	13	C	C15	POPI15	1	1
	35.28	9.28	63.82
	14	H	H5	POPI15	1	1
	35.16	10.27	64.31
	15	O	O5	POPI15	1	1
	34.42	8.27	64.42
	16	P	P5	POPI15	1	1
	33.52	8.49	65.8
	17	O	OP52	POPI15	1	1
	32.93	7.13	66.17
	18	O	OP53	POPI15	1	1
	34.34	9.09	66.94
	19	O	OP54	POPI15	1	1
	32.49	9.58	65.45
	20	C	C16	POPI15	1	1
	34.9	9.38	62.34
	21	H	H6	POPI15	1	1
	35.08	8.39	61.87
	22	O	O6	POPI15	1	1
	33.55	9.76	62.15
	23	H	HO6	POPI15	1	1
	33.16	10.03	62.99
	24	C	C11	POPI15	1	1
	35.79	10.41	61.64
	25	H	H1	POPI15	1	1
	35.73	11.36	62.23
	26	P	P	POPI15	1	1
	35.98	11.75	59.22
	27	O	O13	POPI15	1	1
	37.35	11.41	58.8
	28	O	O14	POPI15	1	1
	35.78	13.08	59.81
	29	O	O12	POPI15	1	1
	35.39	10.66	60.31
	30	O	O11	POPI15	1	1
	34.96	11.57	58.02
	31	C	C1	POPI15	1	1
	33.63	11.03	58.18
	32	H	HA	POPI15	1	1
	32.89	11.71	57.74
	33	H	HB	POPI15	1	1
	33.35	10.86	59.25
	34	C	C2	POPI15	1	1
	33.46	9.65	57.51
	35	H	HS	POPI15	1	1
	32.57	9.14	57.93
	36	O	O21	POPI15	1	1
	34.58	8.95	57.87
	37	C	C21	POPI15	1	1
	34.54	7.72	57.69
	38	O	O22	POPI15	1	1
	33.6	6.98	57.43
	39	C	C22	POPI15	1	1
	35.91	7.36	57.82
	40	H	H2R	POPI15	1	1
	35.79	6.29	58.04
	41	H	H2S	POPI15	1	1
	36.43	7.73	58.73
	42	C	C3	POPI15	1	1
	33.3	9.7	55.98
	43	H	HX	POPI15	1	1
	33.21	8.69	55.52
	44	H	HY	POPI15	1	1
	32.34	10.24	55.89
	45	O	O31	POPI15	1	1
	34.38	10.4	55.34
	46	C	C31	POPI15	1	1
	34	10.96	54.21
	47	O	O32	POPI15	1	1
	32.9	10.86	53.7
	48	C	C32	POPI15	1	1
	35.14	11.75	53.64
	49	H	H2X	POPI15	1	1
	35.79	11.02	53.12
	50	H	H2Y	POPI15	1	1
	35.72	12.24	54.45
	51	C	C23	POPI15	1	1
	36.5	7.89	56.49
	52	H	H3R	POPI15	1	1
	37.63	7.82	56.69
	53	H	H3S	POPI15	1	1
	36.37	8.97	56.21
	54	C	C24	POPI15	1	1
	36.13	7.23	55.13
	55	H	H4R	POPI15	1	1
	36.36	6.29	54.55
	56	H	H4S	POPI15	1	1
	37.02	7.77	54.93
	57	C	C25	POPI15	1	1
	35.02	6.95	54.26
	58	H	H5R	POPI15	1	1
	34.25	6.89	55.02
	59	H	H5S	POPI15	1	1
	34.91	5.97	53.65
	60	C	C26	POPI15	1	1
	35.41	7.99	53.27
	61	H	H6R	POPI15	1	1
	36.19	7.7	52.54
	62	H	H6S	POPI15	1	1
	35.78	8.89	53.83
	63	C	C27	POPI15	1	1
	34.22	7.98	52.46
	64	H	H7R	POPI15	1	1
	33.48	8.33	53.22
	65	H	H7S	POPI15	1	1
	34.02	6.91	52.2
	66	C	C28	POPI15	1	1
	34.38	8.83	51.22
	67	H	H8R	POPI15	1	1
	34.64	9.86	51.55
	68	H	H8S	POPI15	1	1
	33.35	8.84	50.83
	69	C	C29	POPI15	1	1
	35.34	8.35	50.16
	70	H	H91	POPI15	1	1
	36.41	8.58	50.37
	71	C	C210	POPI15	1	1
	34.99	7.74	49.01
	72	H	H101	POPI15	1	1
	35.8	7.39	48.35
	73	C	C211	POPI15	1	1
	33.58	7.41	48.53
	74	H	H11R	POPI15	1	1
	32.91	7.31	49.41
	75	H	H11S	POPI15	1	1
	33.57	6.39	48.07
	76	C	C212	POPI15	1	1
	32.82	8.38	47.57
	77	H	H12R	POPI15	1	1
	32.85	9.41	47.99
	78	H	H12S	POPI15	1	1
	31.76	8.03	47.54
	79	C	C213	POPI15	1	1
	33.23	8.46	46.09
	80	H	H13R	POPI15	1	1
	33.28	7.43	45.66
	81	H	H13S	POPI15	1	1
	34.21	8.97	46
	82	C	C214	POPI15	1	1
	32.22	9.3	45.29
	83	H	H14R	POPI15	1	1
	32.2	10.32	45.73
	84	H	H14S	POPI15	1	1
	31.2	8.87	45.36
	85	C	C215	POPI15	1	1
	32.65	9.5	43.84
	86	H	H15R	POPI15	1	1
	32.97	8.53	43.38
	87	H	H15S	POPI15	1	1
	33.53	10.19	43.84
	88	C	C216	POPI15	1	1
	31.63	10.17	42.93
	89	H	H16R	POPI15	1	1
	31.64	11.27	43.16
	90	H	H16S	POPI15	1	1
	30.59	9.81	43.1
	91	C	C217	POPI15	1	1
	32.03	9.92	41.49
	92	H	H17R	POPI15	1	1
	31.15	9.62	40.88
	93	H	H17S	POPI15	1	1
	32.79	9.11	41.42
	94	C	C218	POPI15	1	1
	32.7	11.15	40.93
	95	H	H18R	POPI15	1	1
	33.66	11.42	41.38
	96	H	H18S	POPI15	1	1
	32.77	11.1	39.82
	97	H	H18T	POPI15	1	1
	32.1	12	41.31
	98	C	C33	POPI15	1	1
	34.61	12.81	52.67
	99	H	H3X	POPI15	1	1
	33.94	13.53	53.2
	100	H	H3Y	POPI15	1	1
	34.05	12.33	51.84
	101	C	C34	POPI15	1	1
	35.78	13.57	52.07
	102	H	H4X	POPI15	1	1
	36.34	12.83	51.46
	103	H	H4Y	POPI15	1	1
	36.47	13.87	52.9
	104	C	C35	POPI15	1	1
	35.33	14.75	51.2
	105	H	H5X	POPI15	1	1
	35.89	15.67	51.47
	106	H	H5Y	POPI15	1	1
	34.24	14.98	51.32
	107	C	C36	POPI15	1	1
	35.59	14.44	49.73
	108	H	H6X	POPI15	1	1
	36.59	13.96	49.64
	109	H	H6Y	POPI15	1	1
	35.62	15.39	49.16
	110	C	C37	POPI15	1	1
	34.54	13.55	49.06
	111	H	H7X	POPI15	1	1
	33.54	14.02	49.18
	112	H	H7Y	POPI15	1	1
	34.5	12.54	49.54
	113	C	C38	POPI15	1	1
	34.82	13.42	47.55
	114	H	H8X	POPI15	1	1
	35.28	14.38	47.22
	115	H	H8Y	POPI15	1	1
	33.84	13.33	47.03
	116	C	C39	POPI15	1	1
	35.71	12.21	47.22
	117	H	H9X	POPI15	1	1
	35.36	11.34	47.82
	118	H	H9Y	POPI15	1	1
	36.75	12.45	47.53
	119	C	C310	POPI15	1	1
	35.7	11.72	45.76
	120	H	H10X	POPI15	1	1
	34.69	11.29	45.54
	121	H	H10Y	POPI15	1	1
	36.46	10.93	45.61
	122	C	C311	POPI15	1	1
	35.98	12.81	44.73
	123	H	H11X	POPI15	1	1
	37.02	13.16	44.9
	124	H	H11Y	POPI15	1	1
	35.26	13.63	44.92
	125	C	C312	POPI15	1	1
	35.87	12.31	43.28
	126	H	H12X	POPI15	1	1
	34.92	11.74	43.13
	127	H	H12Y	POPI15	1	1
	36.71	11.61	43.09
	128	C	C313	POPI15	1	1
	35.92	13.46	42.28
	129	H	H13X	POPI15	1	1
	36.7	14.17	42.65
	130	H	H13Y	POPI15	1	1
	34.95	14	42.32
	131	C	C314	POPI15	1	1
	36.24	13.09	40.83
	132	H	H14X	POPI15	1	1
	35.4	12.52	40.37
	133	H	H14Y	POPI15	1	1
	37.16	12.46	40.75
	134	C	C315	POPI15	1	1
	36.43	14.35	39.99
	135	H	H15X	POPI15	1	1
	35.57	15.02	40.24
	136	H	H15Y	POPI15	1	1
	36.36	14.09	38.91
	137	C	C316	POPI15	1	1
	37.74	15.1	40.2
	138	H	H16X	POPI15	1	1
	38.59	14.41	40.01
	139	H	H16Y	POPI15	1	1
	37.84	15.92	39.46
	140	H	H16Z	POPI15	1	1
	37.83	15.52	41.22

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

_cell.entry_id	POPI15
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

