# --------------------------------------------------------------------------
#
# 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 POPE.gro
#
#---------------------------------------------------------------------------

data_POPE

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

_entry.id	POPE

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

_chemical.entry_id	POPE
_chemical.name_common	'POPE'

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

_chemical_formula.entry_id	POPE
_chemical_formula.structural	'C39H81NO8P'

###############
## 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	N	N	POPE	1	1
	22.18	42.54	58.89
	2	H	HN1	POPE	1	1
	22.43	43.42	59.37
	3	H	HN2	POPE	1	1
	22.74	42.43	58.02
	4	H	HN3	POPE	1	1
	21.19	42.74	58.64
	5	C	C12	POPE	1	1
	22.2	41.36	59.75
	6	H	H12A	POPE	1	1
	22.2	41.6	60.77
	7	H	H12B	POPE	1	1
	23.21	40.94	59.72
	8	C	C11	POPE	1	1
	20.92	40.58	59.47
	9	H	H11A	POPE	1	1
	19.97	41.14	59.56
	10	H	H11B	POPE	1	1
	20.83	39.76	60.22
	11	P	P	POPE	1	1
	22.25	39.19	57.86
	12	O	O13	POPE	1	1
	22.66	38.55	59.13
	13	O	O14	POPE	1	1
	23.17	40.15	57.2
	14	O	O11	POPE	1	1
	21.54	38.23	56.88
	15	O	O12	POPE	1	1
	20.99	40.11	58.14
	16	C	C1	POPE	1	1
	21	38.69	55.65
	17	H	HA	POPE	1	1
	21.26	39.75	55.38
	18	H	HB	POPE	1	1
	19.88	38.67	55.68
	19	C	C2	POPE	1	1
	21.48	37.68	54.58
	20	H	HS	POPE	1	1
	21.05	36.7	54.89
	21	O	O21	POPE	1	1
	22.9	37.6	54.47
	22	C	C21	POPE	1	1
	23.27	36.58	53.7
	23	O	O22	POPE	1	1
	22.52	35.7	53.32
	24	C	C22	POPE	1	1
	24.74	36.7	53.35
	25	H	H2R	POPE	1	1
	25.27	36.13	54.14
	26	H	H2S	POPE	1	1
	25.06	37.75	53.46
	27	C	C3	POPE	1	1
	20.89	38.04	53.25
	28	H	HX	POPE	1	1
	19.86	38.38	53.56
	29	H	HY	POPE	1	1
	20.9	37.3	52.43
	30	O	O31	POPE	1	1
	21.6	39.1	52.78
	31	C	C31	POPE	1	1
	20.78	39.88	52.12
	32	O	O32	POPE	1	1
	19.65	39.68	51.8
	33	C	C32	POPE	1	1
	21.54	40.96	51.71
	34	H	H2X	POPE	1	1
	21.89	40.29	50.84
	35	H	H2Y	POPE	1	1
	22.48	40.93	52.36
	36	C	C23	POPE	1	1
	25.1	36.08	51.98
	37	H	H3R	POPE	1	1
	24.57	35.1	51.84
	38	H	H3S	POPE	1	1
	26.19	35.86	51.97
	39	C	C24	POPE	1	1
	24.87	37.01	50.77
	40	H	H4R	POPE	1	1
	23.79	37.12	50.58
	41	H	H4S	POPE	1	1
	25.34	36.52	49.88
	42	C	C25	POPE	1	1
	25.56	38.37	50.99
	43	H	H5R	POPE	1	1
	26.63	38.18	51.25
	44	H	H5S	POPE	1	1
	25.08	38.89	51.84
	45	C	C26	POPE	1	1
	25.5	39.34	49.82
	46	H	H6R	POPE	1	1
	24.47	39.74	49.77
	47	H	H6S	POPE	1	1
	25.71	38.79	48.87
	48	C	C27	POPE	1	1
	26.49	40.52	49.98
	49	H	H7R	POPE	1	1
	27.53	40.12	50.07
	50	H	H7S	POPE	1	1
	26.26	41.04	50.94
	51	C	C28	POPE	1	1
	26.37	41.53	48.84
	52	H	H8R	POPE	1	1
	26.97	42.45	48.99
	53	H	H8S	POPE	1	1
	25.3	41.85	48.76
	54	C	C29	POPE	1	1
	26.86	40.77	47.66
	55	H	H91	POPE	1	1
	27.93	40.56	47.64
	56	C	C210	POPE	1	1
	26.16	40.43	46.59
	57	H	H101	POPE	1	1
	26.52	39.83	45.75
	58	C	C211	POPE	1	1
	24.82	40.71	46.35
	59	H	H11R	POPE	1	1
	24.39	40.56	47.32
	60	H	H11S	POPE	1	1
	24.56	39.81	45.78
	61	C	C212	POPE	1	1
	24.68	42.08	45.63
	62	H	H12R	POPE	1	1
	24.93	42.94	46.29
	63	H	H12S	POPE	1	1
	23.69	42.45	45.45
	64	C	C213	POPE	1	1
	25.16	42.14	44.17
	65	H	H13R	POPE	1	1
	26.19	42.22	44.31
	66	H	H13S	POPE	1	1
	24.82	43.11	43.72
	67	C	C214	POPE	1	1
	25.15	40.96	43.14
	68	H	H14R	POPE	1	1
	24.34	40.21	43.22
	69	H	H14S	POPE	1	1
	25.83	40.13	43.25
	70	C	C215	POPE	1	1
	25.15	41.52	41.73
	71	H	H15R	POPE	1	1
	26.13	41.93	41.48
	72	H	H15S	POPE	1	1
	24.52	42.44	41.57
	73	C	C216	POPE	1	1
	24.83	40.33	40.83
	74	H	H16R	POPE	1	1
	23.92	39.75	41.02
	75	H	H16S	POPE	1	1
	25.61	39.58	40.87
	76	C	C217	POPE	1	1
	24.69	40.83	39.46
	77	H	H17R	POPE	1	1
	25.78	41.04	39.4
	78	H	H17S	POPE	1	1
	24.22	41.85	39.34
	79	C	C218	POPE	1	1
	24.1	39.84	38.41
	80	H	H18R	POPE	1	1
	24.74	38.96	38.27
	81	H	H18S	POPE	1	1
	24.01	40.19	37.35
	82	H	H18T	POPE	1	1
	23.05	39.69	38.62
	83	C	C33	POPE	1	1
	20.85	42.6	51.51
	84	H	H3X	POPE	1	1
	20.11	43.22	51.44
	85	H	H3Y	POPE	1	1
	19.97	42.13	51.2
	86	C	C34	POPE	1	1
	21.82	44.55	51.14
	87	H	H4X	POPE	1	1
	22.75	44.59	50.37
	88	H	H4Y	POPE	1	1
	22.98	44.73	51.4
	89	C	C35	POPE	1	1
	21.35	45.71	50.6
	90	H	H5X	POPE	1	1
	22.19	46.09	49.99
	91	H	H5Y	POPE	1	1
	21.19	46.32	51.49
	92	C	C36	POPE	1	1
	20.5	45.64	49.47
	93	H	H6X	POPE	1	1
	20.23	46.72	49.56
	94	H	H6Y	POPE	1	1
	19.68	45	49.8
	95	C	C37	POPE	1	1
	21.22	45.32	48.12
	96	H	H7X	POPE	1	1
	22.04	44.86	47.58
	97	H	H7Y	POPE	1	1
	22.3	45.47	48.27
	98	C	C38	POPE	1	1
	20.46	45.92	47.1
	99	H	H8X	POPE	1	1
	20.01	46.87	47.37
	100	H	H8Y	POPE	1	1
	19.8	45.12	47.06
	101	C	C39	POPE	1	1
	20.95	45.68	45.78
	102	H	H9X	POPE	1	1
	22	45.94	45.83
	103	H	H9Y	POPE	1	1
	20.31	46.21	45.05
	104	C	C310	POPE	1	1
	21.07	44.25	45.5
	105	H	H10X	POPE	1	1
	20.37	43.56	46.02
	106	H	H10Y	POPE	1	1
	21.97	43.93	46.04
	107	C	C311	POPE	1	1
	21.22	44.31	43.99
	108	H	H11X	POPE	1	1
	22.3	44.13	43.88
	109	H	H11Y	POPE	1	1
	20.88	45.24	43.55
	110	C	C312	POPE	1	1
	20.34	43.49	43.12
	111	H	H12X	POPE	1	1
	19.34	43.3	43.32
	112	H	H12Y	POPE	1	1
	20.56	42.68	43.83
	113	C	C313	POPE	1	1
	20.5	43.31	41.47
	114	H	H13X	POPE	1	1
	21.55	43.24	41.85
	115	H	H13Y	POPE	1	1
	21.17	43.78	40.76
	116	C	C314	POPE	1	1
	19.79	41.87	40.64
	117	H	H14X	POPE	1	1
	20.18	41.41	39.78
	118	H	H14Y	POPE	1	1
	18.98	42.52	40.36
	119	C	C315	POPE	1	1
	19.61	39.9	41.01
	120	H	H15X	POPE	1	1
	18.83	39.33	40.55
	121	H	H15Y	POPE	1	1
	19.26	39.99	42.05
	122	C	C316	POPE	1	1
	20.12	38.47	41.66
	123	H	H16X	POPE	1	1
	20.48	38.28	42.68
	124	H	H16Y	POPE	1	1
	20.85	38.03	41.01
	125	H	H16Z	POPE	1	1
	19.26	37.78	41.86

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

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

