# --------------------------------------------------------------------------
#
# 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 PNPI24.gro
#
#---------------------------------------------------------------------------

data_PNPI24

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

_entry.id	PNPI24

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

_chemical.entry_id	PNPI24
_chemical.name_common	'PNPI24'

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

_chemical_formula.entry_id	PNPI24
_chemical_formula.structural	'C43H85O19P3'

###############
## 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	PNPI24	1	1
	44.58	8.9	62.56
	2	H	H2	PNPI24	1	1
	45.23	9.51	61.9
	3	O	O2	PNPI24	1	1
	45.17	7.62	62.72
	4	H	HO2	PNPI24	1	1
	44.97	7.44	63.63
	5	C	C13	PNPI24	1	1
	44.37	9.6	63.92
	6	H	H3	PNPI24	1	1
	43.96	10.63	63.76
	7	O	O3	PNPI24	1	1
	45.53	9.59	64.69
	8	H	HO3	PNPI24	1	1
	45.7	10.52	64.94
	9	C	C14	PNPI24	1	1
	43.53	8.84	64.88
	10	H	H4	PNPI24	1	1
	44.04	7.86	65.08
	11	O	O4	PNPI24	1	1
	43.36	9.65	66.09
	12	P	P4	PNPI24	1	1
	44.1	9.21	67.49
	13	O	OP42	PNPI24	1	1
	43.32	7.92	67.93
	14	H	HP42	PNPI24	1	1
	43.08	7.38	67.17
	15	O	OP43	PNPI24	1	1
	45.49	8.66	67.25
	16	O	OP44	PNPI24	1	1
	44	10.22	68.63
	17	C	C15	PNPI24	1	1
	42.22	8.55	64.22
	18	H	H5	PNPI24	1	1
	41.67	9.49	64
	19	O	O5	PNPI24	1	1
	41.64	7.68	65.2
	20	P	P5	PNPI24	1	1
	40.3	8.21	66.02
	21	O	OP52	PNPI24	1	1
	39.7	6.98	66.66
	22	O	OP53	PNPI24	1	1
	40.6	9.36	66.96
	23	O	OP54	PNPI24	1	1
	39.54	8.71	64.89
	24	C	C16	PNPI24	1	1
	42.45	7.8	62.89
	25	H	H6	PNPI24	1	1
	42.99	6.87	63.13
	26	O	O6	PNPI24	1	1
	41.25	7.41	62.24
	27	H	HO6	PNPI24	1	1
	40.92	6.64	62.69
	28	C	C11	PNPI24	1	1
	43.25	8.65	61.92
	29	H	H1	PNPI24	1	1
	42.7	9.62	61.86
	30	P	P	PNPI24	1	1
	43.55	8.99	59.31
	31	O	O13	PNPI24	1	1
	44.8	9.75	59.34
	32	O	O14	PNPI24	1	1
	42.36	9.84	59.24
	33	O	O12	PNPI24	1	1
	43.4	7.99	60.63
	34	O	O11	PNPI24	1	1
	43.58	7.97	58.09
	35	C	C1	PNPI24	1	1
	43.66	6.56	58.25
	36	H	HA	PNPI24	1	1
	42.8	6.19	58.84
	37	H	HB	PNPI24	1	1
	44.6	6.26	58.76
	38	C	C2	PNPI24	1	1
	43.61	5.87	56.86
	39	H	HS	PNPI24	1	1
	44.01	4.83	56.92
	40	O	O21	PNPI24	1	1
	44.27	6.6	55.84
	41	C	C21	PNPI24	1	1
	45.53	6.73	55.94
	42	O	O22	PNPI24	1	1
	46.28	6.12	56.67
	43	C	C22	PNPI24	1	1
	45.85	7.68	54.83
	44	H	H2R	PNPI24	1	1
	45.86	8.73	55.18
	45	H	H2S	PNPI24	1	1
	45.1	7.58	54
	46	C	C3	PNPI24	1	1
	42.19	5.76	56.4
	47	H	HX	PNPI24	1	1
	41.73	5.04	57.12
	48	H	HY	PNPI24	1	1
	41.61	6.71	56.45
	49	O	O31	PNPI24	1	1
	42.28	5.3	55.04
	50	C	C31	PNPI24	1	1
	41.22	4.63	54.76
	51	O	O32	PNPI24	1	1
	40.3	4.46	55.53
	52	C	C32	PNPI24	1	1
	41.26	4.24	53.25
	53	H	H2X	PNPI24	1	1
	40.28	3.8	52.96
	54	H	H2Y	PNPI24	1	1
	41.89	3.5	52.89
	55	C	C23	PNPI24	1	1
	47.14	7.29	54.22
	56	H	H3R	PNPI24	1	1
	47.23	6.2	53.97
	57	H	H3S	PNPI24	1	1
	47.94	7.55	54.91
	58	C	C24	PNPI24	1	1
	47.25	8.07	52.97
	59	H	H4R	PNPI24	1	1
	47.72	9.08	53.16
	60	H	H4S	PNPI24	1	1
	46.37	8.21	52.33
	61	C	C25	PNPI24	1	1
	48.1	7.27	52.1
	62	H	H5R	PNPI24	1	1
	47.89	6.25	51.78
	63	H	H5S	PNPI24	1	1
	48.95	6.85	52.68
	64	C	C26	PNPI24	1	1
	48.16	8.29	50.99
	65	H	H6R	PNPI24	1	1
	49.07	8.91	51.13
	66	H	H6S	PNPI24	1	1
	47.89	9.36	51.11
	67	C	C27	PNPI24	1	1
	47.91	7.42	49.72
	68	H	H7R	PNPI24	1	1
	48.32	6.41	49.61
	69	H	H7S	PNPI24	1	1
	48.64	7.46	49
	70	C	C28	PNPI24	1	1
	46.56	7.46	49.14
	71	H	H8R	PNPI24	1	1
	46.19	8.39	49.59
	72	H	H8S	PNPI24	1	1
	46.31	6.54	49.73
	73	C	C29	PNPI24	1	1
	46.33	7.33	47.62
	74	H	H91	PNPI24	1	1
	46.53	6.28	47.31
	75	C	C210	PNPI24	1	1
	46.22	8.25	46.59
	76	H	H101	PNPI24	1	1
	46.18	7.84	45.58
	77	C	C211	PNPI24	1	1
	46.3	9.8	46.48
	78	H	H11R	PNPI24	1	1
	46.2	10.14	47.49
	79	H	H11S	PNPI24	1	1
	45.37	10.38	46.43
	80	C	C212	PNPI24	1	1
	47.44	10.6	45.79
	81	H	H121	PNPI24	1	1
	48.44	10.74	46.21
	82	C	C213	PNPI24	1	1
	47.57	11.11	44.66
	83	H	H131	PNPI24	1	1
	48.61	11.44	44.38
	84	C	C214	PNPI24	1	1
	46.41	10.89	43.82
	85	H	H14R	PNPI24	1	1
	46.54	11.68	43.11
	86	H	H14S	PNPI24	1	1
	45.55	11.08	44.47
	87	C	C215	PNPI24	1	1
	45.95	9.66	43.12
	88	H	H151	PNPI24	1	1
	45.39	8.9	43.73
	89	C	C216	PNPI24	1	1
	46.72	9.24	42.14
	90	H	H161	PNPI24	1	1
	46.33	8.23	41.73
	91	C	C217	PNPI24	1	1
	48.19	9.95	41.66
	92	H	H17R	PNPI24	1	1
	48.19	10.99	41.8
	93	H	H17S	PNPI24	1	1
	47.47	9.92	40.83
	94	C	C218	PNPI24	1	1
	50.22	9.41	41.72
	95	H	H18R	PNPI24	1	1
	50.81	8.74	41.05
	96	H	H18S	PNPI24	1	1
	50.63	8.66	42.43
	97	H	H18T	PNPI24	1	1
	50.37	8.28	41.44
	98	C	C33	PNPI24	1	1
	42	5.18	52.33
	99	H	H3X	PNPI24	1	1
	43.02	5.38	52.62
	100	H	H3Y	PNPI24	1	1
	41.7	6.17	52.66
	101	C	C34	PNPI24	1	1
	41.94	4.66	50.88
	102	H	H4X	PNPI24	1	1
	40.96	4.34	50.5
	103	H	H4Y	PNPI24	1	1
	42.33	3.64	50.8
	104	C	C35	PNPI24	1	1
	42.62	5.61	49.88
	105	H	H5X	PNPI24	1	1
	43.64	5.75	50.24
	106	H	H5Y	PNPI24	1	1
	42.14	6.62	49.86
	107	C	C36	PNPI24	1	1
	42.54	5.12	48.44
	108	H	H6X	PNPI24	1	1
	41.5	5.21	48.12
	109	H	H6Y	PNPI24	1	1
	42.86	4.07	48.34
	110	C	C37	PNPI24	1	1
	42.91	6.05	47.33
	111	H	H7X	PNPI24	1	1
	43.34	5.42	46.52
	112	H	H7Y	PNPI24	1	1
	43.64	6.71	47.83
	113	C	C38	PNPI24	1	1
	41.68	6.81	46.76
	114	H	H8X	PNPI24	1	1
	41.02	7.22	47.54
	115	H	H8Y	PNPI24	1	1
	41.04	6.12	46.17
	116	C	C39	PNPI24	1	1
	42.1	7.99	46.01
	117	H	H9X	PNPI24	1	1
	42.94	8.57	46.39
	118	H	H9Y	PNPI24	1	1
	41.23	8.63	45.68
	119	C	C310	PNPI24	1	1
	42.72	7.64	44.69
	120	H	H10X	PNPI24	1	1
	43.61	6.97	44.59
	121	H	H10Y	PNPI24	1	1
	43.08	8.69	44.51
	122	C	C311	PNPI24	1	1
	41.57	6.86	43.97
	123	H	H11X	PNPI24	1	1
	40.53	7.24	43.78
	124	H	H11Y	PNPI24	1	1
	41.47	5.72	44.18
	125	C	C312	PNPI24	1	1
	41.95	6.83	42.57
	126	H	H12X	PNPI24	1	1
	42.76	6.15	42.77
	127	H	H12Y	PNPI24	1	1
	41.78	7.68	41.97
	128	C	C313	PNPI24	1	1
	41.11	6.61	41.38
	129	H	H13X	PNPI24	1	1
	40.06	6.47	41.12
	130	H	H13Y	PNPI24	1	1
	40.93	5.71	41.96
	131	C	C314	PNPI24	1	1
	42.23	7.07	40.15
	132	H	H14X	PNPI24	1	1
	42.36	6.62	39.17
	133	H	H14Y	PNPI24	1	1
	41.39	7.32	39.54
	134	C	C315	PNPI24	1	1
	43.53	6.36	40.78
	135	H	H15X	PNPI24	1	1
	43.97	5.83	41.66
	136	H	H15Y	PNPI24	1	1
	44.02	6.63	39.83
	137	C	C316	PNPI24	1	1
	43.94	5.04	40.45
	138	H	H16X	PNPI24	1	1
	45.07	5.24	40.15
	139	H	H16Y	PNPI24	1	1
	43.04	4.19	40.75
	140	H	H16Z	PNPI24	1	1
	44.62	5.04	39.48

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

_cell.entry_id	PNPI24
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

