# --------------------------------------------------------------------------
#
# 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 DYPC.gro
#
#---------------------------------------------------------------------------

data_DYPC

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

_entry.id	DYPC

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

_chemical.entry_id	DYPC
_chemical.name_common	'DYPC'

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

_chemical_formula.entry_id	DYPC
_chemical_formula.structural	'C40H79NO8P'

###############
## 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	N	N	DYPC	1	1
	19.82	33.2	58.27
	2	C	C12	DYPC	1	1
	19.46	34.53	58.93
	3	H	H12A	DYPC	1	1
	20.28	34.8	59.58
	4	H	H12B	DYPC	1	1
	19.41	35.3	58.16
	5	C	C13	DYPC	1	1
	18.94	33	57.06
	6	H	H13A	DYPC	1	1
	17.88	33.13	57.3
	7	H	H13B	DYPC	1	1
	19.14	33.75	56.3
	8	H	H13C	DYPC	1	1
	19.07	32.03	56.58
	9	C	C14	DYPC	1	1
	19.64	32.08	59.23
	10	H	H14A	DYPC	1	1
	19.92	31.15	58.76
	11	H	H14B	DYPC	1	1
	20.18	32.25	60.15
	12	H	H14C	DYPC	1	1
	18.57	31.97	59.45
	13	C	C15	DYPC	1	1
	21.25	33.25	57.86
	14	H	H15A	DYPC	1	1
	21.65	32.25	57.8
	15	H	H15B	DYPC	1	1
	21.84	33.85	58.54
	16	H	H15C	DYPC	1	1
	21.37	33.7	56.88
	17	C	C11	DYPC	1	1
	18.18	34.62	59.8
	18	H	H11A	DYPC	1	1
	18.19	35.63	60.28
	19	H	H11B	DYPC	1	1
	18.2	33.86	60.6
	20	P	P	DYPC	1	1
	16.09	35.56	58.53
	21	O	O13	DYPC	1	1
	16.87	36.82	58.58
	22	O	O14	DYPC	1	1
	14.78	35.53	59.24
	23	O	O12	DYPC	1	1
	17.01	34.4	59.05
	24	O	O11	DYPC	1	1
	15.95	35.1	57.03
	25	C	C1	DYPC	1	1
	14.92	35.59	56.19
	26	H	HA	DYPC	1	1
	14.67	36.66	56.44
	27	H	HB	DYPC	1	1
	13.98	35	56.31
	28	C	C2	DYPC	1	1
	15.38	35.49	54.71
	29	H	HS	DYPC	1	1
	15.39	34.44	54.37
	30	O	O21	DYPC	1	1
	16.67	36.09	54.6
	31	C	C21	DYPC	1	1
	17.69	35.29	54.42
	32	O	O22	DYPC	1	1
	17.74	34.08	54.51
	33	C	C22	DYPC	1	1
	18.76	36.17	53.83
	34	H	H2R	DYPC	1	1
	19.72	35.62	53.86
	35	H	H2S	DYPC	1	1
	18.81	37.05	54.52
	36	C	C3	DYPC	1	1
	14.39	36.22	53.77
	37	H	HX	DYPC	1	1
	14.04	36.9	54.53
	38	H	HY	DYPC	1	1
	13.47	35.69	53.5
	39	O	O31	DYPC	1	1
	15.05	36.87	52.66
	40	C	C31	DYPC	1	1
	14.38	37.67	51.87
	41	O	O32	DYPC	1	1
	13.18	37.86	51.85
	42	C	C32	DYPC	1	1
	15.32	38.17	50.78
	43	H	H2X	DYPC	1	1
	16.37	38.17	51.12
	44	H	H2Y	DYPC	1	1
	15.15	37.51	49.93
	45	C	C23	DYPC	1	1
	18.41	36.62	52.39
	46	H	H3R	DYPC	1	1
	18.8	37.62	52.15
	47	H	H3S	DYPC	1	1
	17.34	36.81	52.28
	48	C	C24	DYPC	1	1
	19	35.76	51.26
	49	H	H4R	DYPC	1	1
	20.11	35.67	51.36
	50	H	H4S	DYPC	1	1
	18.8	36.31	50.31
	51	C	C25	DYPC	1	1
	18.43	34.35	51.13
	52	H	H5R	DYPC	1	1
	18.8	33.72	51.97
	53	H	H5S	DYPC	1	1
	18.84	33.92	50.18
	54	C	C26	DYPC	1	1
	16.91	34.31	51.1
	55	H	H6R	DYPC	1	1
	16.49	34.86	51.97
	56	H	H6S	DYPC	1	1
	16.6	33.24	51.21
	57	C	C27	DYPC	1	1
	16.35	34.89	49.79
	58	H	H7R	DYPC	1	1
	16.62	34.17	48.98
	59	H	H7S	DYPC	1	1
	16.84	35.85	49.55
	60	C	C28	DYPC	1	1
	14.86	35.21	49.8
	61	H	H8R	DYPC	1	1
	14.68	35.85	48.91
	62	H	H8S	DYPC	1	1
	14.43	35.69	50.66
	63	C	C29	DYPC	1	1
	14.2	33.95	49.69
	64	H	H9R	DYPC	1	1
	14.12	33.29	50.58
	65	C	C210	DYPC	1	1
	13.64	33.7	48.53
	66	H	H10R	DYPC	1	1
	13.88	32.69	48.23
	67	C	C211	DYPC	1	1
	13.5	34.42	47.24
	68	H	H11R	DYPC	1	1
	14.25	35.17	47.23
	69	H	H11S	DYPC	1	1
	12.45	34.63	46.98
	70	C	C212	DYPC	1	1
	14.21	33.84	46.06
	71	H	H12R	DYPC	1	1
	13.7	33.03	45.84
	72	H	H12S	DYPC	1	1
	14.93	33.22	46.62
	73	C	C213	DYPC	1	1
	13.6	33.82	44.6
	74	H	H13R	DYPC	1	1
	13.61	34.85	44.41
	75	H	H13S	DYPC	1	1
	12.55	33.37	44.5
	76	C	C214	DYPC	1	1
	14.56	33.07	43.68
	77	H	H14R	DYPC	1	1
	14.07	32.18	43.95
	78	H	H14S	DYPC	1	1
	15.56	33.22	44.1
	79	C	C215	DYPC	1	1
	14.89	33.1	42.2
	80	H	H15R	DYPC	1	1
	14.81	34.17	42.09
	81	H	H15S	DYPC	1	1
	14.19	32.49	41.62
	82	C	C216	DYPC	1	1
	16.27	32.58	41.69
	83	H	H16R	DYPC	1	1
	17.07	32.91	42.37
	84	H	H16S	DYPC	1	1
	16.32	31.47	41.63
	85	H	H16T	DYPC	1	1
	16.48	32.92	40.66
	86	C	C33	DYPC	1	1
	14.94	39.52	50.22
	87	H	H3X	DYPC	1	1
	14.35	40.04	50.93
	88	H	H3Y	DYPC	1	1
	14.07	39.52	49.64
	89	C	C34	DYPC	1	1
	16.04	40.27	49.52
	90	H	H4X	DYPC	1	1
	16.23	39.57	48.68
	91	H	H4Y	DYPC	1	1
	15.65	41.21	49.1
	92	C	C35	DYPC	1	1
	17.32	40.56	50.27
	93	H	H5X	DYPC	1	1
	17.68	39.67	50.82
	94	H	H5Y	DYPC	1	1
	17.24	41.37	51.02
	95	C	C36	DYPC	1	1
	18.39	40.94	49.28
	96	H	H6X	DYPC	1	1
	18.32	41.98	48.95
	97	H	H6Y	DYPC	1	1
	19.3	40.9	49.88
	98	C	C37	DYPC	1	1
	18.48	40.03	48.04
	99	H	H7X	DYPC	1	1
	17.57	40.16	47.45
	100	H	H7Y	DYPC	1	1
	19.16	40.25	47.21
	101	C	C38	DYPC	1	1
	18.97	38.67	48.5
	102	H	H8X	DYPC	1	1
	18.2	38.31	49.2
	103	H	H8Y	DYPC	1	1
	19.92	38.77	49.07
	104	C	C39	DYPC	1	1
	19.15	37.79	47.3
	105	H	H9X	DYPC	1	1
	20.18	37.55	47.03
	106	C	C310	DYPC	1	1
	18.13	37.35	46.55
	107	H	H10X	DYPC	1	1
	18.36	36.74	45.67
	108	C	C311	DYPC	1	1
	16.67	37.65	46.79
	109	H	H11X	DYPC	1	1
	16.45	37.61	47.88
	110	H	H11Y	DYPC	1	1
	16.41	38.68	46.45
	111	C	C312	DYPC	1	1
	15.69	36.66	46.11
	112	H	H12X	DYPC	1	1
	16	35.63	46.36
	113	H	H12Y	DYPC	1	1
	14.67	36.86	46.52
	114	C	C313	DYPC	1	1
	15.57	36.72	44.59
	115	H	H13X	DYPC	1	1
	16.44	37.35	44.35
	116	H	H13Y	DYPC	1	1
	15.71	35.75	44.09
	117	C	C314	DYPC	1	1
	14.2	37.28	44.18
	118	H	H14X	DYPC	1	1
	13.35	36.86	44.76
	119	H	H14Y	DYPC	1	1
	14.48	38.29	44.4
	120	C	C315	DYPC	1	1
	13.7	37.55	42.78
	121	H	H15X	DYPC	1	1
	14.01	38.54	42.52
	122	H	H15Y	DYPC	1	1
	12.67	37.93	42.7
	123	C	C316	DYPC	1	1
	14.08	36.41	41.89
	124	H	H16X	DYPC	1	1
	15.09	36.01	42.12
	125	H	H16Y	DYPC	1	1
	13.2	35.79	41.69
	126	H	H16Z	DYPC	1	1
	14.29	36.53	40.86

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

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

