# --------------------------------------------------------------------------
#
# 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 POPS.gro
#
#---------------------------------------------------------------------------

data_POPS

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

_entry.id	POPS

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

_chemical.entry_id	POPS
_chemical.name_common	'POPS'

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

_chemical_formula.entry_id	POPS
_chemical_formula.structural	'C40H77NO10P'

###############
## 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	POPS	1	1
	18.28	25.39	58.38
	2	H	HN1	POPS	1	1
	17.34	25.41	58.82
	3	H	HN2	POPS	1	1
	18.27	25.84	57.43
	4	H	HN3	POPS	1	1
	18.68	24.43	58.38
	5	C	C12	POPS	1	1
	19.11	26.31	59.21
	6	H	H12A	POPS	1	1
	20.15	26.06	59.07
	7	C	C13	POPS	1	1
	18.81	26.33	60.7
	8	O	O13A	POPS	1	1
	17.76	25.77	61.11
	9	O	O13B	POPS	1	1
	19.63	26.94	61.44
	10	C	C11	POPS	1	1
	18.83	27.74	58.69
	11	H	H11A	POPS	1	1
	19.42	28.47	59.29
	12	H	H11B	POPS	1	1
	17.76	27.99	58.86
	13	P	P	POPS	1	1
	20.5	28.23	56.78
	14	O	O13	POPS	1	1
	21.4	28.35	57.96
	15	O	O14	POPS	1	1
	20.39	29.39	55.89
	16	O	O12	POPS	1	1
	19.07	27.83	57.3
	17	O	O11	POPS	1	1
	20.81	26.89	56
	18	C	C1	POPS	1	1
	21.85	26.08	56.53
	19	H	HA	POPS	1	1
	21.54	25.57	57.47
	20	H	HB	POPS	1	1
	22.75	26.69	56.8
	21	C	C2	POPS	1	1
	22.29	24.96	55.55
	22	H	HS	POPS	1	1
	23.07	24.45	56.12
	23	O	O21	POPS	1	1
	22.65	25.32	54.19
	24	C	C21	POPS	1	1
	23.14	26.5	53.85
	25	O	O22	POPS	1	1
	23.55	27.38	54.58
	26	C	C22	POPS	1	1
	23.21	26.6	52.33
	27	H	H2R	POPS	1	1
	22.79	25.69	51.85
	28	H	H2S	POPS	1	1
	24.28	26.69	52.04
	29	C	C3	POPS	1	1
	21.26	23.84	55.38
	30	H	HX	POPS	1	1
	21.13	23.39	56.4
	31	H	HY	POPS	1	1
	21.68	23.05	54.73
	32	O	O31	POPS	1	1
	20.1	24.41	54.76
	33	C	C31	POPS	1	1
	18.99	24.01	55.29
	34	O	O32	POPS	1	1
	18.87	23.19	56.17
	35	C	C32	POPS	1	1
	17.86	24.83	54.75
	36	H	H2X	POPS	1	1
	18.12	25.9	54.89
	37	H	H2Y	POPS	1	1
	16.94	24.57	55.32
	38	C	C23	POPS	1	1
	22.46	27.87	51.89
	39	H	H3R	POPS	1	1
	22.66	28.05	50.81
	40	H	H3S	POPS	1	1
	22.86	28.75	52.44
	41	C	C24	POPS	1	1
	20.95	27.77	52.16
	42	H	H4R	POPS	1	1
	20.79	27.67	53.27
	43	H	H4S	POPS	1	1
	20.55	26.85	51.68
	44	C	C25	POPS	1	1
	20.16	29	51.69
	45	H	H5R	POPS	1	1
	20.63	29.91	52.12
	46	H	H5S	POPS	1	1
	19.12	28.92	52.09
	47	C	C26	POPS	1	1
	20.1	29.1	50.16
	48	H	H6R	POPS	1	1
	19.53	28.23	49.75
	49	H	H6S	POPS	1	1
	21.14	29.03	49.77
	50	C	C27	POPS	1	1
	19.51	30.41	49.63
	51	H	H7R	POPS	1	1
	19.93	31.24	50.24
	52	H	H7S	POPS	1	1
	18.41	30.41	49.77
	53	C	C28	POPS	1	1
	19.88	30.69	48.16
	54	H	H8R	POPS	1	1
	20.95	30.99	48.13
	55	H	H8S	POPS	1	1
	19.31	31.57	47.83
	56	C	C29	POPS	1	1
	19.54	29.63	47.15
	57	H	H91	POPS	1	1
	18.51	29.7	46.75
	58	C	C210	POPS	1	1
	20.34	28.66	46.7
	59	H	H101	POPS	1	1
	19.94	27.96	45.96
	60	C	C211	POPS	1	1
	21.77	28.42	47.12
	61	H	H11R	POPS	1	1
	22.1	29.21	47.83
	62	H	H11S	POPS	1	1
	22.44	28.53	46.25
	63	C	C212	POPS	1	1
	22.04	27.07	47.84
	64	H	H12R	POPS	1	1
	21.26	26.91	48.61
	65	H	H12S	POPS	1	1
	23.01	27.21	48.39
	66	C	C213	POPS	1	1
	22.17	25.77	47
	67	H	H13R	POPS	1	1
	22.07	24.9	47.68
	68	H	H13S	POPS	1	1
	23.18	25.67	46.57
	69	C	C214	POPS	1	1
	21.17	25.65	45.85
	70	H	H14R	POPS	1	1
	21.4	26.44	45.1
	71	H	H14S	POPS	1	1
	20.15	25.82	46.23
	72	C	C215	POPS	1	1
	21.2	24.29	45.14
	73	H	H15R	POPS	1	1
	20.97	23.42	45.78
	74	H	H15S	POPS	1	1
	22.24	24.19	44.93
	75	C	C216	POPS	1	1
	20.37	24.32	43.86
	76	H	H16R	POPS	1	1
	20.53	25.29	43.33
	77	H	H16S	POPS	1	1
	19.33	24.24	44.23
	78	C	C217	POPS	1	1
	20.52	23.24	42.8
	79	H	H17R	POPS	1	1
	20.61	22.23	43.27
	80	H	H17S	POPS	1	1
	21.4	23.38	42.13
	81	C	C218	POPS	1	1
	19.38	23.31	41.82
	82	H	H18R	POPS	1	1
	19.61	22.57	41.05
	83	H	H18S	POPS	1	1
	19.34	24.29	41.3
	84	H	H18T	POPS	1	1
	18.42	23.1	42.34
	85	C	C33	POPS	1	1
	17.72	24.5	53.26
	86	H	H3X	POPS	1	1
	17.33	23.46	53.18
	87	H	H3Y	POPS	1	1
	18.73	24.51	52.78
	88	C	C34	POPS	1	1
	16.85	25.47	52.49
	89	H	H4X	POPS	1	1
	17	26.5	52.89
	90	H	H4Y	POPS	1	1
	15.77	25.2	52.63
	91	C	C35	POPS	1	1
	17.2	25.48	51
	92	H	H5X	POPS	1	1
	17.3	24.42	50.7
	93	H	H5Y	POPS	1	1
	18.2	25.92	50.8
	94	C	C36	POPS	1	1
	16.14	26.17	50.15
	95	H	H6X	POPS	1	1
	15.96	27.2	50.53
	96	H	H6Y	POPS	1	1
	15.18	25.6	50.23
	97	C	C37	POPS	1	1
	16.51	26.31	48.67
	98	H	H7X	POPS	1	1
	17.46	26.84	48.5
	99	H	H7Y	POPS	1	1
	15.67	26.85	48.21
	100	C	C38	POPS	1	1
	16.65	24.95	48.03
	101	H	H8X	POPS	1	1
	15.66	24.51	48.18
	102	H	H8Y	POPS	1	1
	17.32	24.56	48.76
	103	C	C39	POPS	1	1
	17.38	24.77	46.67
	104	H	H9X	POPS	1	1
	17.4	23.83	46.12
	105	H	H9Y	POPS	1	1
	18.38	25.21	46.62
	106	C	C310	POPS	1	1
	16.55	25.4	45.69
	107	H	H10X	POPS	1	1
	16.47	26.35	46.25
	108	H	H10Y	POPS	1	1
	15.63	24.79	45.77
	109	C	C311	POPS	1	1
	17.11	25.46	44.27
	110	H	H11X	POPS	1	1
	16.46	26.1	43.72
	111	H	H11Y	POPS	1	1
	17.03	24.51	43.71
	112	C	C312	POPS	1	1
	18.06	26.59	43.86
	113	H	H12X	POPS	1	1
	19.07	26.32	44.14
	114	H	H12Y	POPS	1	1
	17.79	27.5	44.45
	115	C	C313	POPS	1	1
	17.91	27	42.37
	116	H	H13X	POPS	1	1
	16.85	26.93	42.07
	117	H	H13Y	POPS	1	1
	18.48	26.33	41.7
	118	C	C314	POPS	1	1
	18.29	28.47	42.16
	119	H	H14X	POPS	1	1
	19.26	28.63	42.66
	120	H	H14Y	POPS	1	1
	17.52	29.12	42.65
	121	C	C315	POPS	1	1
	18.44	28.91	40.71
	122	H	H15X	POPS	1	1
	17.48	29.03	40.16
	123	H	H15Y	POPS	1	1
	19.05	28.18	40.13
	124	C	C316	POPS	1	1
	19.02	30.31	40.67
	125	H	H16X	POPS	1	1
	20.08	30.32	41.01
	126	H	H16Y	POPS	1	1
	18.39	31	41.28
	127	H	H16Z	POPS	1	1
	18.96	30.69	39.66

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

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

