# --------------------------------------------------------------------------
#
# 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 PYPI.gro
#
#---------------------------------------------------------------------------

data_PYPI

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

_entry.id	PYPI

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

_chemical.entry_id	PYPI
_chemical.name_common	'PYPI'

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

_chemical_formula.entry_id	PYPI
_chemical_formula.structural	'C41H83O13P'

###############
## 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	PYPI	1	1
	8.5	19.7	61.35
	2	H	H2	PYPI	1	1
	7.66	19.24	61.92
	3	O	O2	PYPI	1	1
	8.79	18.76	60.3
	4	H	HO2	PYPI	1	1
	7.99	18.36	59.96
	5	C	C13	PYPI	1	1
	9.71	19.84	62.26
	6	H	H3	PYPI	1	1
	9.98	18.84	62.66
	7	O	O3	PYPI	1	1
	10.83	20.34	61.53
	8	H	HO3	PYPI	1	1
	10.41	20.91	60.85
	9	C	C14	PYPI	1	1
	9.39	20.72	63.46
	10	H	H4	PYPI	1	1
	10.34	20.87	64.03
	11	O	O4	PYPI	1	1
	8.51	20.02	64.36
	12	H	HO4	PYPI	1	1
	8.93	19.91	65.22
	13	C	C15	PYPI	1	1
	8.93	22.11	63
	14	H	H5	PYPI	1	1
	8.59	22.62	63.93
	15	O	O5	PYPI	1	1
	9.97	22.97	62.5
	16	H	HO5	PYPI	1	1
	10.22	23.53	63.24
	17	C	C16	PYPI	1	1
	7.73	21.99	62.06
	18	H	H6	PYPI	1	1
	7.5	23.02	61.7
	19	O	O6	PYPI	1	1
	6.58	21.57	62.77
	20	H	HO6	PYPI	1	1
	5.78	21.85	62.33
	21	C	C11	PYPI	1	1
	8.04	21.08	60.87
	22	H	H1	PYPI	1	1
	7.08	20.89	60.33
	23	P	P	PYPI	1	1
	8.42	22.57	58.7
	24	O	O13	PYPI	1	1
	7.72	23.75	59.26
	25	O	O14	PYPI	1	1
	7.68	21.66	57.79
	26	O	O12	PYPI	1	1
	8.98	21.71	60
	27	O	O11	PYPI	1	1
	9.8	22.98	58.06
	28	C	C1	PYPI	1	1
	11.09	23.03	58.65
	29	H	HA	PYPI	1	1
	11.16	22.58	59.67
	30	H	HB	PYPI	1	1
	11.36	24.1	58.75
	31	C	C2	PYPI	1	1
	12.19	22.43	57.71
	32	H	HS	PYPI	1	1
	13.17	22.83	58.05
	33	O	O21	PYPI	1	1
	11.9	22.8	56.32
	34	C	C21	PYPI	1	1
	12.96	22.85	55.54
	35	O	O22	PYPI	1	1
	14.1	22.62	55.91
	36	C	C22	PYPI	1	1
	12.6	23.22	54.08
	37	H	H2R	PYPI	1	1
	12.62	24.33	54.02
	38	H	H2S	PYPI	1	1
	11.57	22.87	53.84
	39	C	C3	PYPI	1	1
	12.26	20.88	57.89
	40	H	HX	PYPI	1	1
	12.35	20.65	58.97
	41	H	HY	PYPI	1	1
	13.14	20.46	57.36
	42	O	O31	PYPI	1	1
	11.06	20.31	57.44
	43	C	C31	PYPI	1	1
	10.95	19.01	57.49
	44	O	O32	PYPI	1	1
	11.81	18.18	57.7
	45	C	C32	PYPI	1	1
	9.62	18.76	57.01
	46	H	H2X	PYPI	1	1
	8.79	19.49	57.37
	47	H	H2Y	PYPI	1	1
	9.23	17.68	57.08
	48	C	C23	PYPI	1	1
	13.61	22.58	53.09
	49	H	H3R	PYPI	1	1
	13.49	21.47	53.11
	50	H	H3S	PYPI	1	1
	14.66	22.82	53.4
	51	C	C24	PYPI	1	1
	13.5	22.98	51.61
	52	H	H4R	PYPI	1	1
	13.93	23.99	51.5
	53	H	H4S	PYPI	1	1
	12.43	23.01	51.3
	54	C	C25	PYPI	1	1
	14.28	22.04	50.68
	55	H	H5R	PYPI	1	1
	13.87	21.01	50.71
	56	H	H5S	PYPI	1	1
	15.32	21.94	51.07
	57	C	C26	PYPI	1	1
	14.3	22.52	49.22
	58	H	H6R	PYPI	1	1
	15.26	23.03	49.11
	59	H	H6S	PYPI	1	1
	13.47	23.2	48.95
	60	C	C27	PYPI	1	1
	14.26	21.35	48.25
	61	H	H7R	PYPI	1	1
	13.31	20.83	48.46
	62	H	H7S	PYPI	1	1
	15.13	20.69	48.51
	63	C	C28	PYPI	1	1
	14.13	21.64	46.76
	64	H	H8R	PYPI	1	1
	13.3	22.32	46.53
	65	H	H8S	PYPI	1	1
	13.99	20.95	45.98
	66	C	C29	PYPI	1	1
	15.56	21.91	46.68
	67	H	H9R	PYPI	1	1
	15.01	22.62	45.97
	68	C	C210	PYPI	1	1
	16.77	21.79	46.08
	69	H	H10R	PYPI	1	1
	17.51	22.58	46
	70	C	C211	PYPI	1	1
	17.31	20.77	45.2
	71	H	H11R	PYPI	1	1
	17.14	19.88	45.71
	72	H	H11S	PYPI	1	1
	18.39	20.83	45.19
	73	C	C212	PYPI	1	1
	16.81	20.87	43.75
	74	H	H12R	PYPI	1	1
	17.31	21.54	43.05
	75	H	H12S	PYPI	1	1
	15.72	21.18	43.74
	76	C	C213	PYPI	1	1
	17.05	19.46	43.29
	77	H	H13R	PYPI	1	1
	16.31	19.3	44.04
	78	H	H13S	PYPI	1	1
	17.84	18.77	43.6
	79	C	C214	PYPI	1	1
	16.45	19.01	42.04
	80	H	H14R	PYPI	1	1
	16.11	17.95	42.01
	81	H	H14S	PYPI	1	1
	15.67	19.8	41.91
	82	C	C215	PYPI	1	1
	17.04	19.49	40.86
	83	H	H15R	PYPI	1	1
	17.21	20.58	40.98
	84	H	H15S	PYPI	1	1
	16.35	19.31	40.08
	85	C	C216	PYPI	1	1
	17.96	18.5	40.35
	86	H	H16R	PYPI	1	1
	18.8	18.64	41.05
	87	H	H16S	PYPI	1	1
	17.46	17.49	40.41
	88	H	H16T	PYPI	1	1
	18.1	18.81	39.3
	89	C	C33	PYPI	1	1
	10.08	18.98	55.54
	90	H	H3X	PYPI	1	1
	10.12	20.05	55.13
	91	H	H3Y	PYPI	1	1
	8.91	18.79	55.7
	92	C	C34	PYPI	1	1
	10.94	17.82	55.52
	93	H	H4X	PYPI	1	1
	10.76	17.51	55.51
	94	H	H4Y	PYPI	1	1
	11.93	18.01	54.78
	95	C	C35	PYPI	1	1
	9.87	17.13	52.35
	96	H	H5X	PYPI	1	1
	9.3	16.58	52.13
	97	H	H5Y	PYPI	1	1
	10.42	16.06	52.01
	98	C	C36	PYPI	1	1
	9.64	18.48	50.94
	99	H	H6X	PYPI	1	1
	10.45	19.4	50.95
	100	H	H6Y	PYPI	1	1
	9.27	19.49	51.53
	101	C	C37	PYPI	1	1
	9.79	18.84	49.62
	102	H	H7X	PYPI	1	1
	8.7	18.8	49.69
	103	H	H7Y	PYPI	1	1
	10.24	17.96	49.14
	104	C	C38	PYPI	1	1
	10.66	20.07	49.21
	105	H	H8X	PYPI	1	1
	11.72	20.18	49.58
	106	H	H8Y	PYPI	1	1
	10.12	20.91	49.7
	107	C	C39	PYPI	1	1
	10.74	19.82	47.79
	108	H	H9X	PYPI	1	1
	11.15	18.9	47.42
	109	H	H9Y	PYPI	1	1
	11.48	20.53	47.43
	110	C	C310	PYPI	1	1
	9.35	19.54	47.31
	111	H	H10X	PYPI	1	1
	8.69	20.24	47.87
	112	H	H10Y	PYPI	1	1
	9.01	18.48	47.52
	113	C	C311	PYPI	1	1
	9.38	19.73	45.84
	114	H	H11X	PYPI	1	1
	9.78	20.75	45.65
	115	H	H11Y	PYPI	1	1
	8.33	19.68	45.51
	116	C	C312	PYPI	1	1
	10.17	18.67	45.06
	117	H	H12X	PYPI	1	1
	9.75	17.67	45.29
	118	H	H12Y	PYPI	1	1
	11.26	18.65	45.33
	119	C	C313	PYPI	1	1
	10.02	18.93	43.57
	120	H	H13X	PYPI	1	1
	9	19.24	43.3
	121	H	H13Y	PYPI	1	1
	10.28	17.98	43.05
	122	C	C314	PYPI	1	1
	10.94	20.05	43.13
	123	H	H14X	PYPI	1	1
	11.87	19.58	43.31
	124	H	H14Y	PYPI	1	1
	10.95	20.91	43.83
	125	C	C315	PYPI	1	1
	10.73	20.5	41.68
	126	H	H15X	PYPI	1	1
	11.34	21.45	41.53
	127	H	H15Y	PYPI	1	1
	9.69	20.66	41.45
	128	C	C316	PYPI	1	1
	11.1	19.49	40.64
	129	H	H16X	PYPI	1	1
	12.03	19.93	40.8
	130	H	H16Y	PYPI	1	1
	11.21	18.42	40.88
	131	H	H16Z	PYPI	1	1
	11.1	19.66	39.57

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

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

