# --------------------------------------------------------------------------
#
# 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 PNPI15.gro
#
#---------------------------------------------------------------------------

data_PNPI15

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

_entry.id	PNPI15

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

_chemical.entry_id	PNPI15
_chemical.name_common	'PNPI15'

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

_chemical_formula.entry_id	PNPI15
_chemical_formula.structural	'C43H90O16P2'

###############
## 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	PNPI15	1	1
	34.74	4.46	61.96
	2	H	H2	PNPI15	1	1
	34.12	4.13	61.1
	3	O	O2	PNPI15	1	1
	35	5.83	61.74
	4	H	HO2	PNPI15	1	1
	34.25	6.35	61.46
	5	C	C13	PNPI15	1	1
	33.98	4.23	63.22
	6	H	H3	PNPI15	1	1
	33.77	3.15	63.4
	7	O	O3	PNPI15	1	1
	32.74	4.9	63.02
	8	H	HO3	PNPI15	1	1
	33.03	5.83	62.94
	9	C	C14	PNPI15	1	1
	34.79	4.71	64.41
	10	H	H4	PNPI15	1	1
	35.01	5.8	64.32
	11	O	O4	PNPI15	1	1
	34.01	4.56	65.58
	12	H	HO4	PNPI15	1	1
	33.92	5.46	65.96
	13	C	C15	PNPI15	1	1
	36.11	3.96	64.51
	14	H	H5	PNPI15	1	1
	35.98	2.88	64.74
	15	O	O5	PNPI15	1	1
	36.87	4.59	65.53
	16	P	P5	PNPI15	1	1
	37.01	4.08	67.08
	17	O	OP52	PNPI15	1	1
	38.33	3.4	67.1
	18	O	OP53	PNPI15	1	1
	36.99	5.21	68.07
	19	O	OP54	PNPI15	1	1
	36.07	2.94	67.42
	20	C	C16	PNPI15	1	1
	36.87	4.13	63.2
	21	H	H6	PNPI15	1	1
	37.11	5.22	63.09
	22	O	O6	PNPI15	1	1
	38.07	3.35	63.21
	23	H	HO6	PNPI15	1	1
	38.56	3.7	62.46
	24	C	C11	PNPI15	1	1
	36.01	3.66	62.02
	25	H	H1	PNPI15	1	1
	35.71	2.6	62.25
	26	P	P	PNPI15	1	1
	36.34	2.57	59.66
	27	O	O13	PNPI15	1	1
	34.93	2.73	59.22
	28	O	O14	PNPI15	1	1
	36.78	1.28	60.12
	29	O	O12	PNPI15	1	1
	36.7	3.73	60.76
	30	O	O11	PNPI15	1	1
	37.34	2.82	58.51
	31	C	C1	PNPI15	1	1
	37.41	4.06	57.96
	32	H	HA	PNPI15	1	1
	38.46	4.32	57.68
	33	H	HB	PNPI15	1	1
	37.09	4.92	58.64
	34	C	C2	PNPI15	1	1
	36.56	3.94	56.72
	35	H	HS	PNPI15	1	1
	35.49	4.09	57.12
	36	O	O21	PNPI15	1	1
	36.62	2.86	55.78
	37	C	C21	PNPI15	1	1
	35.98	3.03	54.61
	38	O	O22	PNPI15	1	1
	35.03	3.76	54.39
	39	C	C22	PNPI15	1	1
	36.53	2.05	53.59
	40	H	H2R	PNPI15	1	1
	35.93	1.13	53.76
	41	H	H2S	PNPI15	1	1
	37.59	1.83	53.84
	42	C	C3	PNPI15	1	1
	37.13	5.16	56.15
	43	H	HX	PNPI15	1	1
	36.04	5.24	55.9
	44	H	HY	PNPI15	1	1
	37.26	5.85	56.93
	45	O	O31	PNPI15	1	1
	38.16	5.46	55.11
	46	C	C31	PNPI15	1	1
	38.45	6.29	54
	47	O	O32	PNPI15	1	1
	37.97	7.16	53.37
	48	C	C32	PNPI15	1	1
	39.48	6.06	53.3
	49	H	H2X	PNPI15	1	1
	39.12	5	53.36
	50	H	H2Y	PNPI15	1	1
	40.22	6.59	53.97
	51	C	C23	PNPI15	1	1
	36.4	2.47	52.1
	52	H	H3R	PNPI15	1	1
	37.06	3.35	51.92
	53	H	H3S	PNPI15	1	1
	35.37	2.75	51.81
	54	C	C24	PNPI15	1	1
	36.86	1.35	51.16
	55	H	H4R	PNPI15	1	1
	37.77	1.07	51.7
	56	H	H4S	PNPI15	1	1
	37.05	1.73	50.13
	57	C	C25	PNPI15	1	1
	36.13	0.01	51.08
	58	H	H5R	PNPI15	1	1
	36.38	-0.59	51.99
	59	H	H5S	PNPI15	1	1
	36.52	-0.55	50.2
	60	C	C26	PNPI15	1	1
	34.64	0.11	50.91
	61	H	H6R	PNPI15	1	1
	34.23	0.58	51.84
	62	H	H6S	PNPI15	1	1
	34.2	-0.91	50.83
	63	C	C27	PNPI15	1	1
	34.24	0.94	49.68
	64	H	H7R	PNPI15	1	1
	34.66	1.97	49.77
	65	H	H7S	PNPI15	1	1
	33.15	0.96	49.82
	66	C	C28	PNPI15	1	1
	34.43	0.39	48.23
	67	H	H8R	PNPI15	1	1
	33.63	-0.38	48.13
	68	H	H8S	PNPI15	1	1
	35.42	-0.1	48.21
	69	C	C29	PNPI15	1	1
	34.29	1.38	47.08
	70	H	H91	PNPI15	1	1
	33.33	1.77	46.84
	71	C	C210	PNPI15	1	1
	35.04	1.78	46.09
	72	H	H101	PNPI15	1	1
	34.7	2.62	45.46
	73	C	C211	PNPI15	1	1
	36.39	1.25	45.9
	74	H	H11R	PNPI15	1	1
	36.88	1.32	46.9
	75	H	H11S	PNPI15	1	1
	36.92	1.9	45.2
	76	C	C212	PNPI15	1	1
	36.34	-0.16	45.39
	77	H	H121	PNPI15	1	1
	36.41	-0.87	46.21
	78	C	C213	PNPI15	1	1
	35.99	-0.65	44.18
	79	H	H131	PNPI15	1	1
	36.2	-1.71	43.96
	80	C	C214	PNPI15	1	1
	35.55	0.1	42.97
	81	H	H14R	PNPI15	1	1
	34.55	0.52	43.23
	82	H	H14S	PNPI15	1	1
	35.33	-0.65	42.18
	83	C	C215	PNPI15	1	1
	36.51	1.14	42.44
	84	H	H151	PNPI15	1	1
	37.57	0.91	42.44
	85	C	C216	PNPI15	1	1
	36.2	2.37	42.03
	86	H	H161	PNPI15	1	1
	37	3	41.6
	87	C	C217	PNPI15	1	1
	34.82	2.91	42.03
	88	H	H17R	PNPI15	1	1
	34.9	3.97	41.75
	89	H	H17S	PNPI15	1	1
	34.38	2.93	43.05
	90	C	C218	PNPI15	1	1
	33.92	2.09	41.09
	91	H	H18R	PNPI15	1	1
	33.75	1.03	41.35
	92	H	H18S	PNPI15	1	1
	32.92	2.49	40.95
	93	H	H18T	PNPI15	1	1
	34.32	2.19	40.07
	94	C	C33	PNPI15	1	1
	39.52	6.55	51.85
	95	H	H3X	PNPI15	1	1
	40.52	6.71	51.42
	96	H	H3Y	PNPI15	1	1
	39.35	7.62	51.74
	97	C	C34	PNPI15	1	1
	38.91	5.48	50.96
	98	H	H4X	PNPI15	1	1
	37.82	5.44	51
	99	H	H4Y	PNPI15	1	1
	39.24	4.46	51.28
	100	C	C35	PNPI15	1	1
	39.37	5.89	49.58
	101	H	H5X	PNPI15	1	1
	40.42	5.9	49.52
	102	H	H5Y	PNPI15	1	1
	39.31	6.98	49.44
	103	C	C36	PNPI15	1	1
	39.04	4.96	48.46
	104	H	H6X	PNPI15	1	1
	39.11	5.52	47.51
	105	H	H6Y	PNPI15	1	1
	38.03	4.55	48.69
	106	C	C37	PNPI15	1	1
	39.87	3.73	48.28
	107	H	H7X	PNPI15	1	1
	39.54	3.24	49.19
	108	H	H7Y	PNPI15	1	1
	40.94	3.5	48.45
	109	C	C38	PNPI15	1	1
	39.77	3.29	46.87
	110	H	H8X	PNPI15	1	1
	40.14	4.01	46.09
	111	H	H8Y	PNPI15	1	1
	38.77	2.86	46.65
	112	C	C39	PNPI15	1	1
	40.74	2.27	46.62
	113	H	H9X	PNPI15	1	1
	40.76	1.55	47.37
	114	H	H9Y	PNPI15	1	1
	41.79	2.65	46.52
	115	C	C310	PNPI15	1	1
	40.04	1.52	45.56
	116	H	H10X	PNPI15	1	1
	39.14	0.95	45.77
	117	H	H10Y	PNPI15	1	1
	40.48	0.62	45.75
	118	C	C311	PNPI15	1	1
	40.38	2.21	44.25
	119	H	H11X	PNPI15	1	1
	41.39	2.61	44.61
	120	H	H11Y	PNPI15	1	1
	39.81	3.1	44.12
	121	C	C312	PNPI15	1	1
	40.26	1.36	42.9
	122	H	H12X	PNPI15	1	1
	39.6	0.51	42.84
	123	H	H12Y	PNPI15	1	1
	40.95	1.11	43.61
	124	C	C313	PNPI15	1	1
	41.1	1.41	41.57
	125	H	H13X	PNPI15	1	1
	41.14	0.74	40.75
	126	H	H13Y	PNPI15	1	1
	41.8	0.55	41.24
	127	C	C314	PNPI15	1	1
	40.25	2.46	41.02
	128	H	H14X	PNPI15	1	1
	40.01	3.22	41.81
	129	H	H14Y	PNPI15	1	1
	39.37	1.91	40.68
	130	C	C315	PNPI15	1	1
	40.59	3.15	39.81
	131	H	H15X	PNPI15	1	1
	40.03	3.75	39.06
	132	H	H15Y	PNPI15	1	1
	41	2.56	39.11
	133	C	C316	PNPI15	1	1
	41.01	4.39	40.11
	134	H	H16X	PNPI15	1	1
	41.54	4.38	41.09
	135	H	H16Y	PNPI15	1	1
	41.86	4.71	40.43
	136	H	H16Z	PNPI15	1	1
	41.87	4.52	39.57

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

_cell.entry_id	PNPI15
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

