# --------------------------------------------------------------------------
#
# 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 PNPI.gro
#
#---------------------------------------------------------------------------

data_PNPI

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

_entry.id	PNPI

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

_chemical.entry_id	PNPI
_chemical.name_common	'PNPI'

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

_chemical_formula.entry_id	PNPI
_chemical_formula.structural	'C43H83O13P'

###############
## 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	PNPI	1	1
	35.98	21.02	61.79
	2	H	H2	PNPI	1	1
	35.08	21.6	61.5
	3	O	O2	PNPI	1	1
	37.07	21.61	61.16
	4	H	HO2	PNPI	1	1
	36.78	22.37	60.63
	5	C	C13	PNPI	1	1
	36.17	21.09	63.27
	6	H	H3	PNPI	1	1
	35.26	20.67	63.64
	7	O	O3	PNPI	1	1
	36.06	22.39	63.8
	8	H	HO3	PNPI	1	1
	36.12	22.43	64.76
	9	C	C14	PNPI	1	1
	37.37	20.28	63.71
	10	H	H4	PNPI	1	1
	38.28	20.64	63.16
	11	O	O4	PNPI	1	1
	37.59	20.46	65.12
	12	H	HO4	PNPI	1	1
	36.98	20.02	65.71
	13	C	C15	PNPI	1	1
	37.18	18.84	63.3
	14	H	H5	PNPI	1	1
	36.38	18.32	63.82
	15	O	O5	PNPI	1	1
	38.35	18.21	63.76
	16	H	HO5	PNPI	1	1
	38.11	17.46	64.32
	17	C	C16	PNPI	1	1
	36.95	18.76	61.78
	18	H	H6	PNPI	1	1
	37.89	19.04	61.25
	19	O	O6	PNPI	1	1
	36.51	17.49	61.34
	20	H	HO6	PNPI	1	1
	36.95	17.36	60.49
	21	C	C11	PNPI	1	1
	35.77	19.6	61.39
	22	H	H1	PNPI	1	1
	34.9	19.24	61.97
	23	P	P	PNPI	1	1
	34.08	18.93	59.43
	24	O	O13	PNPI	1	1
	33.01	19.72	60.07
	25	O	O14	PNPI	1	1
	33.94	17.52	59.84
	26	O	O12	PNPI	1	1
	35.48	19.55	59.99
	27	O	O11	PNPI	1	1
	34.27	19.12	57.88
	28	C	C1	PNPI	1	1
	34.3	20.46	57.39
	29	H	HA	PNPI	1	1
	34.97	20.52	56.5
	30	H	HB	PNPI	1	1
	34.7	21.2	58.14
	31	C	C2	PNPI	1	1
	32.91	20.92	56.96
	32	H	HS	PNPI	1	1
	32.2	20.8	57.81
	33	O	O21	PNPI	1	1
	32.56	20.06	55.85
	34	C	C21	PNPI	1	1
	31.39	20.18	55.32
	35	O	O22	PNPI	1	1
	30.46	20.85	55.74
	36	C	C22	PNPI	1	1
	31.39	19.38	54
	37	H	H2R	PNPI	1	1
	30.88	18.45	54.11
	38	H	H2S	PNPI	1	1
	32.39	18.99	53.78
	39	C	C3	PNPI	1	1
	32.94	22.44	56.59
	40	H	HX	PNPI	1	1
	31.91	22.86	56.66
	41	H	HY	PNPI	1	1
	33.59	23	57.31
	42	O	O31	PNPI	1	1
	33.52	22.61	55.3
	43	C	C31	PNPI	1	1
	33.23	23.78	54.78
	44	O	O32	PNPI	1	1
	32.5	24.62	55.25
	45	C	C32	PNPI	1	1
	34	23.92	53.51
	46	H	H2X	PNPI	1	1
	34.47	22.92	53.32
	47	H	H2Y	PNPI	1	1
	34.81	24.66	53.69
	48	C	C23	PNPI	1	1
	30.75	20.13	52.83
	49	H	H3R	PNPI	1	1
	31.35	21.06	52.67
	50	H	H3S	PNPI	1	1
	29.71	20.43	53.09
	51	C	C24	PNPI	1	1
	30.74	19.31	51.53
	52	H	H4R	PNPI	1	1
	29.91	19.74	50.91
	53	H	H4S	PNPI	1	1
	30.51	18.24	51.71
	54	C	C25	PNPI	1	1
	32.07	19.4	50.76
	55	H	H5R	PNPI	1	1
	32.94	19.25	51.43
	56	H	H5S	PNPI	1	1
	32.1	20.45	50.4
	57	C	C26	PNPI	1	1
	32.27	18.4	49.61
	58	H	H6R	PNPI	1	1
	32.29	17.36	50
	59	H	H6S	PNPI	1	1
	33.26	18.59	49.14
	60	C	C27	PNPI	1	1
	31.17	18.42	48.56
	61	H	H7R	PNPI	1	1
	30.93	19.47	48.27
	62	H	H7S	PNPI	1	1
	30.27	17.97	49.04
	63	C	C28	PNPI	1	1
	31.52	17.58	47.32
	64	H	H8R	PNPI	1	1
	30.61	17.55	46.67
	65	H	H8S	PNPI	1	1
	31.73	16.53	47.58
	66	C	C29	PNPI	1	1
	32.75	18.04	46.6
	67	H	H91	PNPI	1	1
	33.72	17.68	46.91
	68	C	C210	PNPI	1	1
	32.79	19.09	45.85
	69	H	H101	PNPI	1	1
	33.64	19.33	45.18
	70	C	C211	PNPI	1	1
	31.64	19.94	45.63
	71	H	H11R	PNPI	1	1
	32.32	20.71	45.4
	72	H	H11S	PNPI	1	1
	30.79	20.2	46.26
	73	C	C212	PNPI	1	1
	30.96	19.35	44.59
	74	H	H121	PNPI	1	1
	30.68	18.31	44.75
	75	C	C213	PNPI	1	1
	30.86	19.97	43.49
	76	H	H131	PNPI	1	1
	30.4	19.65	42.51
	77	C	C214	PNPI	1	1
	31.46	21.18	43.51
	78	H	H14R	PNPI	1	1
	30.68	22.05	43.54
	79	H	H14S	PNPI	1	1
	30.37	21.28	43.05
	80	C	C215	PNPI	1	1
	33.11	21.23	42.77
	81	H	H151	PNPI	1	1
	33.8	22.1	43.02
	82	C	C216	PNPI	1	1
	33.65	20.9	41.44
	83	H	H161	PNPI	1	1
	34.48	21.66	41.14
	84	C	C217	PNPI	1	1
	33.01	20.27	39.98
	85	H	H17R	PNPI	1	1
	32.3	19.47	40.24
	86	H	H17S	PNPI	1	1
	33.44	19.38	39.46
	87	C	C218	PNPI	1	1
	32.35	20.81	38.62
	88	H	H18R	PNPI	1	1
	32.28	20	37.84
	89	H	H18S	PNPI	1	1
	31.28	21.05	38.68
	90	H	H18T	PNPI	1	1
	32.88	21.69	38.22
	91	C	C33	PNPI	1	1
	32.97	24.42	52.44
	92	H	H3X	PNPI	1	1
	32.33	25.21	52.87
	93	H	H3Y	PNPI	1	1
	32.44	23.5	52.1
	94	C	C34	PNPI	1	1
	33.44	25.1	51.12
	95	H	H4X	PNPI	1	1
	34.11	26.02	51.19
	96	H	H4Y	PNPI	1	1
	32.78	25.15	50.25
	97	C	C35	PNPI	1	1
	34.15	24.05	50.41
	98	H	H5X	PNPI	1	1
	34.07	22.97	50.67
	99	H	H5Y	PNPI	1	1
	34.64	24.28	51.33
	100	C	C36	PNPI	1	1
	34.92	24.51	49.16
	101	H	H6X	PNPI	1	1
	35.77	23.91	49.02
	102	H	H6Y	PNPI	1	1
	35.62	25.38	49.11
	103	C	C37	PNPI	1	1
	34.58	23.71	48.02
	104	H	H7X	PNPI	1	1
	35.1	24.02	47.09
	105	H	H7Y	PNPI	1	1
	33.62	24.27	48.06
	106	C	C38	PNPI	1	1
	34.31	22.14	48.18
	107	H	H8X	PNPI	1	1
	33.61	21.82	47.39
	108	H	H8Y	PNPI	1	1
	33.73	21.95	49.1
	109	C	C39	PNPI	1	1
	35.39	21.03	47.97
	110	H	H9X	PNPI	1	1
	35	20.02	48.17
	111	H	H9Y	PNPI	1	1
	36.11	21.02	48.78
	112	C	C310	PNPI	1	1
	36.04	21.05	46.56
	113	H	H10X	PNPI	1	1
	36.01	22.14	46.38
	114	H	H10Y	PNPI	1	1
	35.33	20.72	45.8
	115	C	C311	PNPI	1	1
	37.41	20.29	46.3
	116	H	H11X	PNPI	1	1
	37.28	19.21	46.25
	117	H	H11Y	PNPI	1	1
	37.87	20.06	47.29
	118	C	C312	PNPI	1	1
	38.48	20.98	45.25
	119	H	H12X	PNPI	1	1
	39.56	20.87	45.44
	120	H	H12Y	PNPI	1	1
	38.9	21.98	45.15
	121	C	C313	PNPI	1	1
	37.9	21.28	43.91
	122	H	H13X	PNPI	1	1
	38.57	21.91	43.25
	123	H	H13Y	PNPI	1	1
	36.85	21.6	43.93
	124	C	C314	PNPI	1	1
	38.09	19.92	43.6
	125	H	H14X	PNPI	1	1
	37.79	19.16	44.37
	126	H	H14Y	PNPI	1	1
	39.21	20.08	43.5
	127	C	C315	PNPI	1	1
	37.56	19.47	42.38
	128	H	H15X	PNPI	1	1
	36.54	19.87	42.38
	129	H	H15Y	PNPI	1	1
	37.55	18.35	42.38
	130	C	C316	PNPI	1	1
	38.39	19.91	41.23
	131	H	H16X	PNPI	1	1
	39.23	19.23	41.14
	132	H	H16Y	PNPI	1	1
	37.83	19.66	40.38
	133	H	H16Z	PNPI	1	1
	38.63	20.99	41.18

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

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

