# --------------------------------------------------------------------------
#
# 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 PNPI35.gro
#
#---------------------------------------------------------------------------

data_PNPI35

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

_entry.id	PNPI35

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

_chemical.entry_id	PNPI35
_chemical.name_common	'PNPI35'

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

_chemical_formula.entry_id	PNPI35
_chemical_formula.structural	'C43H82O22P4'

###############
## 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	PNPI35	1	1
	23.77	48.46	62.32
	2	H	H2	PNPI35	1	1
	24.38	49.35	62.04
	3	O	O2	PNPI35	1	1
	24.4	47.28	61.79
	4	H	HO2	PNPI35	1	1
	25.28	47.32	62.19
	5	C	C13	PNPI35	1	1
	23.69	48.38	63.84
	6	H	H3	PNPI35	1	1
	23.12	49.27	64.23
	7	O	O3	PNPI35	1	1
	25.01	48.37	64.38
	8	P	P3	PNPI35	1	1
	25.74	49.75	64.87
	9	O	OP32	PNPI35	1	1
	26.82	49.48	65.91
	10	O	OP33	PNPI35	1	1
	24.73	50.59	65.62
	11	O	OP34	PNPI35	1	1
	26.24	50.46	63.63
	12	C	C14	PNPI35	1	1
	22.95	47.12	64.26
	13	H	H4	PNPI35	1	1
	23.49	46.25	63.82
	14	O	O4	PNPI35	1	1
	22.93	47.03	65.69
	15	P	P4	PNPI35	1	1
	23.69	45.78	66.5
	16	O	OP42	PNPI35	1	1
	23.12	44.42	66.05
	17	O	OP43	PNPI35	1	1
	23.43	45.93	68
	18	O	OP44	PNPI35	1	1
	25.17	45.72	66.17
	19	C	C15	PNPI35	1	1
	21.53	47.2	63.68
	20	H	H5	PNPI35	1	1
	21.06	48.11	64.1
	21	O	O5	PNPI35	1	1
	20.83	45.98	63.99
	22	P	P5	PNPI35	1	1
	19.52	46.16	64.98
	23	O	OP52	PNPI35	1	1
	19.83	46.49	66.49
	24	H	HP52	PNPI35	1	1
	19.19	46	66.99
	25	O	OP53	PNPI35	1	1
	18.75	47.39	64.53
	26	O	OP54	PNPI35	1	1
	18.78	44.82	65.07
	27	C	C16	PNPI35	1	1
	21.56	47.36	62.16
	28	H	H6	PNPI35	1	1
	22.01	46.44	61.71
	29	O	O6	PNPI35	1	1
	20.23	47.53	61.64
	30	H	HO6	PNPI35	1	1
	20.1	46.82	61
	31	C	C11	PNPI35	1	1
	22.36	48.57	61.76
	32	H	H1	PNPI35	1	1
	21.88	49.46	62.24
	33	P	P	PNPI35	1	1
	22.02	50.07	59.56
	34	O	O13	PNPI35	1	1
	22.87	51.2	59.96
	35	O	O14	PNPI35	1	1
	20.55	50.28	59.81
	36	O	O12	PNPI35	1	1
	22.45	48.69	60.33
	37	O	O11	PNPI35	1	1
	22.24	49.7	58.03
	38	C	C1	PNPI35	1	1
	21.61	48.63	57.33
	39	H	HA	PNPI35	1	1
	21.15	49.05	56.41
	40	H	HB	PNPI35	1	1
	20.79	48.17	57.92
	41	C	C2	PNPI35	1	1
	22.65	47.53	56.93
	42	H	HS	PNPI35	1	1
	23.05	47.13	57.89
	43	O	O21	PNPI35	1	1
	23.69	48.17	56.18
	44	C	C21	PNPI35	1	1
	24.78	47.48	56
	45	O	O22	PNPI35	1	1
	25.08	46.4	56.46
	46	C	C22	PNPI35	1	1
	25.63	48.34	55.13
	47	H	H2R	PNPI35	1	1
	26.66	47.98	55.02
	48	H	H2S	PNPI35	1	1
	25.68	49.31	55.68
	49	C	C3	PNPI35	1	1
	22.08	46.32	56.12
	50	H	HX	PNPI35	1	1
	22.86	45.53	56.04
	51	H	HY	PNPI35	1	1
	21.27	45.9	56.74
	52	O	O31	PNPI35	1	1
	21.53	46.73	54.85
	53	C	C31	PNPI35	1	1
	22.18	46.31	53.76
	54	O	O32	PNPI35	1	1
	23.14	45.55	53.75
	55	C	C32	PNPI35	1	1
	21.51	46.87	52.52
	56	H	H2X	PNPI35	1	1
	21.39	47.96	52.66
	57	H	H2Y	PNPI35	1	1
	20.5	46.41	52.44
	58	C	C23	PNPI35	1	1
	25.04	48.63	53.77
	59	H	H3R	PNPI35	1	1
	24.3	49.45	53.96
	60	H	H3S	PNPI35	1	1
	24.63	47.81	53.16
	61	C	C24	PNPI35	1	1
	26.09	49.2	52.89
	62	H	H4R	PNPI35	1	1
	26.99	48.59	52.65
	63	H	H4S	PNPI35	1	1
	26.52	49.88	53.65
	64	C	C25	PNPI35	1	1
	25.45	49.7	51.59
	65	H	H5R	PNPI35	1	1
	25.26	48.88	50.9
	66	H	H5S	PNPI35	1	1
	26.16	50.23	50.92
	67	C	C26	PNPI35	1	1
	24.08	50.45	51.8
	68	H	H6R	PNPI35	1	1
	24.22	51.24	52.61
	69	H	H6S	PNPI35	1	1
	23.28	49.83	52.16
	70	C	C27	PNPI35	1	1
	23.63	51.12	50.51
	71	H	H7R	PNPI35	1	1
	24.68	51.24	50.35
	72	H	H7S	PNPI35	1	1
	23.03	52.04	50.56
	73	C	C28	PNPI35	1	1
	23.25	50.47	49.17
	74	H	H8R	PNPI35	1	1
	22.26	50.15	49.52
	75	H	H8S	PNPI35	1	1
	24.03	49.69	49.08
	76	C	C29	PNPI35	1	1
	23.08	51.2	47.84
	77	H	H91	PNPI35	1	1
	22.56	52.18	47.9
	78	C	C210	PNPI35	1	1
	23.87	51.03	46.75
	79	H	H101	PNPI35	1	1
	23.72	51.73	45.91
	80	C	C211	PNPI35	1	1
	25.1	50.13	46.6
	81	H	H11R	PNPI35	1	1
	26.01	50.57	47.07
	82	H	H11S	PNPI35	1	1
	25.42	50.08	45.55
	83	C	C212	PNPI35	1	1
	25.11	48.71	46.96
	84	H	H121	PNPI35	1	1
	25.65	48.47	47.9
	85	C	C213	PNPI35	1	1
	24.52	47.79	46.19
	86	H	H131	PNPI35	1	1
	24.67	46.74	46.46
	87	C	C214	PNPI35	1	1
	23.78	48.11	44.9
	88	H	H14R	PNPI35	1	1
	24.27	48.94	44.35
	89	H	H14S	PNPI35	1	1
	22.76	48.5	45.14
	90	C	C215	PNPI35	1	1
	23.68	46.91	43.98
	91	H	H151	PNPI35	1	1
	23.56	45.94	44.48
	92	C	C216	PNPI35	1	1
	23.74	46.93	42.64
	93	H	H161	PNPI35	1	1
	23.63	45.97	42.11
	94	C	C217	PNPI35	1	1
	23.91	48.14	41.75
	95	H	H17R	PNPI35	1	1
	23.49	49.04	42.26
	96	H	H17S	PNPI35	1	1
	23.28	48	40.84
	97	C	C218	PNPI35	1	1
	25.36	48.38	41.27
	98	H	H18R	PNPI35	1	1
	26.1	48.38	42.09
	99	H	H18S	PNPI35	1	1
	25.65	47.75	40.41
	100	H	H18T	PNPI35	1	1
	25.52	49.36	40.81
	101	C	C33	PNPI35	1	1
	22.27	46.53	51.22
	102	H	H3X	PNPI35	1	1
	21.87	45.56	50.85
	103	H	H3Y	PNPI35	1	1
	23.36	46.41	51.41
	104	C	C34	PNPI35	1	1
	22.09	47.59	50.12
	105	H	H4X	PNPI35	1	1
	22.64	47.3	49.2
	106	H	H4Y	PNPI35	1	1
	22.62	48.48	50.51
	107	C	C35	PNPI35	1	1
	20.62	47.94	49.79
	108	H	H5X	PNPI35	1	1
	20.6	48.94	49.29
	109	H	H5Y	PNPI35	1	1
	20.03	48.05	50.72
	110	C	C36	PNPI35	1	1
	19.93	46.89	48.9
	111	H	H6X	PNPI35	1	1
	18.83	46.93	49.05
	112	H	H6Y	PNPI35	1	1
	20.28	45.9	49.24
	113	C	C37	PNPI35	1	1
	20.22	46.97	47.38
	114	H	H7X	PNPI35	1	1
	21.25	46.58	47.22
	115	H	H7Y	PNPI35	1	1
	20.2	48.03	47.04
	116	C	C38	PNPI35	1	1
	19.21	46.12	46.57
	117	H	H8X	PNPI35	1	1
	18.23	46.64	46.54
	118	H	H8Y	PNPI35	1	1
	19.06	45.15	47.09
	119	C	C39	PNPI35	1	1
	19.6	45.78	45.12
	120	H	H9X	PNPI35	1	1
	18.79	45.11	44.74
	121	H	H9Y	PNPI35	1	1
	20.55	45.2	45.06
	122	C	C310	PNPI35	1	1
	19.7	47.04	44.25
	123	H	H10X	PNPI35	1	1
	20.65	47.57	44.49
	124	H	H10Y	PNPI35	1	1
	18.84	47.71	44.46
	125	C	C311	PNPI35	1	1
	19.71	46.73	42.76
	126	H	H11X	PNPI35	1	1
	18.76	46.22	42.5
	127	H	H11Y	PNPI35	1	1
	20.57	46.04	42.58
	128	C	C312	PNPI35	1	1
	19.86	47.97	41.86
	129	H	H12X	PNPI35	1	1
	20.61	48.69	42.24
	130	H	H12Y	PNPI35	1	1
	18.86	48.47	41.85
	131	C	C313	PNPI35	1	1
	20.27	47.5	40.46
	132	H	H13X	PNPI35	1	1
	19.55	46.73	40.17
	133	H	H13Y	PNPI35	1	1
	21.16	46.84	40.53
	134	C	C314	PNPI35	1	1
	20.55	48.61	39.39
	135	H	H14X	PNPI35	1	1
	21.07	48.06	38.56
	136	H	H14Y	PNPI35	1	1
	21.2	49.39	39.81
	137	C	C315	PNPI35	1	1
	19.49	49.49	38.67
	138	H	H15X	PNPI35	1	1
	18.58	49.11	38.34
	139	H	H15Y	PNPI35	1	1
	19.79	49.71	37.67
	140	C	C316	PNPI35	1	1
	18.79	50.71	39.1
	141	H	H16X	PNPI35	1	1
	19.53	51.46	38.76
	142	H	H16Y	PNPI35	1	1
	17.86	50.8	38.45
	143	H	H16Z	PNPI35	1	1
	18.55	50.53	40.16

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

_cell.entry_id	PNPI35
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

