# --------------------------------------------------------------------------
#
# 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 YOPC.gro
#
#---------------------------------------------------------------------------

data_YOPC

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

_entry.id	YOPC

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

_chemical.entry_id	YOPC
_chemical.name_common	'YOPC'

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

_chemical_formula.entry_id	YOPC
_chemical_formula.structural	'C42H89NO8P'

###############
## 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	YOPC	1	1
	8.35	34.47	59.95
	2	C	C12	YOPC	1	1
	7.63	33.39	59.16
	3	H	H12A	YOPC	1	1
	7.46	33.73	58.15
	4	H	H12B	YOPC	1	1
	6.66	33.25	59.63
	5	C	C13	YOPC	1	1
	9.79	34.61	59.52
	6	H	H13A	YOPC	1	1
	9.92	34.96	58.5
	7	H	H13B	YOPC	1	1
	10.31	35.31	60.18
	8	H	H13C	YOPC	1	1
	10.33	33.67	59.57
	9	C	C14	YOPC	1	1
	7.66	35.79	59.78
	10	H	H14A	YOPC	1	1
	8.1	36.53	60.46
	11	H	H14B	YOPC	1	1
	7.8	36.15	58.77
	12	H	H14C	YOPC	1	1
	6.61	35.71	60.01
	13	C	C15	YOPC	1	1
	8.28	34.11	61.4
	14	H	H15A	YOPC	1	1
	8.71	34.9	62.01
	15	H	H15B	YOPC	1	1
	8.79	33.18	61.6
	16	H	H15C	YOPC	1	1
	7.24	34	61.71
	17	C	C11	YOPC	1	1
	8.3	32.01	59.06
	18	H	H11A	YOPC	1	1
	7.56	31.27	58.66
	19	H	H11B	YOPC	1	1
	8.58	31.64	60.07
	20	P	P	YOPC	1	1
	9.62	31.22	56.94
	21	O	O13	YOPC	1	1
	10.63	31.89	56.09
	22	O	O14	YOPC	1	1
	9.74	29.79	57.32
	23	O	O12	YOPC	1	1
	9.47	32.09	58.26
	24	O	O11	YOPC	1	1
	8.21	31.43	56.25
	25	C	C1	YOPC	1	1
	7.82	32.41	55.3
	26	H	HA	YOPC	1	1
	8.58	33.2	55.13
	27	H	HB	YOPC	1	1
	6.89	32.89	55.69
	28	C	C2	YOPC	1	1
	7.39	31.77	53.96
	29	H	HS	YOPC	1	1
	6.83	30.85	54.24
	30	O	O21	YOPC	1	1
	8.53	31.46	53.17
	31	C	C21	YOPC	1	1
	8.34	30.37	52.46
	32	O	O22	YOPC	1	1
	7.39	29.61	52.49
	33	C	C22	YOPC	1	1
	9.49	30.22	51.56
	34	H	H2R	YOPC	1	1
	10.36	30.34	52.22
	35	H	H2S	YOPC	1	1
	9.44	31.03	50.81
	36	C	C3	YOPC	1	1
	6.43	32.68	53.14
	37	H	HX	YOPC	1	1
	6.85	33.71	53.13
	38	H	HY	YOPC	1	1
	5.49	32.68	53.73
	39	O	O31	YOPC	1	1
	6.13	32.15	51.82
	40	C	C31	YOPC	1	1
	6.34	32.92	50.76
	41	O	O32	YOPC	1	1
	6.7	34.08	50.78
	42	C	C32	YOPC	1	1
	5.91	32.13	49.49
	43	H	H2X	YOPC	1	1
	4.87	32.44	49.27
	44	H	H2Y	YOPC	1	1
	5.89	31.05	49.73
	45	C	C23	YOPC	1	1
	9.53	28.81	50.95
	46	H	H3R	YOPC	1	1
	8.53	28.64	50.5
	47	H	H3S	YOPC	1	1
	9.76	28.09	51.77
	48	C	C24	YOPC	1	1
	10.46	28.56	49.77
	49	H	H4R	YOPC	1	1
	10.33	27.53	49.52
	50	H	H4S	YOPC	1	1
	11.54	28.63	50.06
	51	C	C25	YOPC	1	1
	9.98	29.42	48.58
	52	H	H5R	YOPC	1	1
	10.27	30.36	49.01
	53	H	H5S	YOPC	1	1
	8.94	29.74	48.57
	54	C	C26	YOPC	1	1
	10.47	29.15	47.11
	55	H	H6R	YOPC	1	1
	10.26	30.02	46.44
	56	H	H6S	YOPC	1	1
	9.95	28.28	46.68
	57	C	C27	YOPC	1	1
	11.98	28.89	46.94
	58	H	H7R	YOPC	1	1
	12.34	28.7	47.93
	59	H	H7S	YOPC	1	1
	12.8	29.47	47.28
	60	C	C28	YOPC	1	1
	12.45	28.44	45.59
	61	H	H8R	YOPC	1	1
	13.56	28.42	45.4
	62	H	H8S	YOPC	1	1
	12.03	29.4	45.46
	63	C	C29	YOPC	1	1
	11.72	27.27	45.01
	64	H	H9R	YOPC	1	1
	11.92	26.28	45.3
	65	C	C210	YOPC	1	1
	11.28	27.19	43.81
	66	H	H10R	YOPC	1	1
	10.82	26.37	43.3
	67	C	C211	YOPC	1	1
	11.6	28.37	43.24
	68	H	H11R	YOPC	1	1
	10.87	29	43.96
	69	H	H11S	YOPC	1	1
	10.48	28.13	43.31
	70	C	C212	YOPC	1	1
	12.34	29.36	41.74
	71	H	H12R	YOPC	1	1
	12.89	28.78	41.12
	72	H	H12S	YOPC	1	1
	12.75	30.28	41.48
	73	C	C213	YOPC	1	1
	11.61	31.37	41.39
	74	H	H13R	YOPC	1	1
	10.93	31.95	42.14
	75	H	H13S	YOPC	1	1
	10.47	31.52	41.3
	76	C	C214	YOPC	1	1
	11.85	32.12	40.55
	77	H	H14R	YOPC	1	1
	12.59	31.5	39.99
	78	H	H14S	YOPC	1	1
	12.45	32.82	41.18
	79	C	C215	YOPC	1	1
	10.42	32.79	39.98
	80	H	H15R	YOPC	1	1
	11.15	32.44	39.36
	81	H	H15S	YOPC	1	1
	10.46	33.79	40.44
	82	C	C216	YOPC	1	1
	9.56	32.45	38.64
	83	H	H16R	YOPC	1	1
	8.82	31.91	39.12
	84	H	H16S	YOPC	1	1
	10	31.66	38.14
	85	C	C217	YOPC	1	1
	9.3	33.04	37.11
	86	H	H17R	YOPC	1	1
	8.27	32.88	36.85
	87	H	H17S	YOPC	1	1
	9.53	33.71	37.88
	88	C	C218	YOPC	1	1
	10.12	33.66	35.8
	89	H	H18R	YOPC	1	1
	10.99	34.31	36.04
	90	H	H18S	YOPC	1	1
	9.68	34.42	35.16
	91	H	H18T	YOPC	1	1
	10.64	32.86	35.23
	92	C	C33	YOPC	1	1
	6.79	32.42	48.24
	93	H	H3X	YOPC	1	1
	7.85	32.17	48.44
	94	H	H3Y	YOPC	1	1
	6.76	33.53	48.08
	95	C	C34	YOPC	1	1
	6.32	31.73	46.93
	96	H	H4X	YOPC	1	1
	6.69	30.68	46.87
	97	H	H4Y	YOPC	1	1
	5.2	31.69	46.93
	98	C	C35	YOPC	1	1
	6.72	32.48	45.64
	99	H	H5X	YOPC	1	1
	7.81	32.73	45.67
	100	H	H5Y	YOPC	1	1
	6.16	33.44	45.62
	101	C	C36	YOPC	1	1
	6.43	31.75	44.31
	102	H	H6X	YOPC	1	1
	6.84	30.71	44.29
	103	H	H6Y	YOPC	1	1
	5.33	31.68	44.15
	104	C	C37	YOPC	1	1
	7.06	32.5	43.13
	105	H	H7X	YOPC	1	1
	8.13	32.68	43.38
	106	H	H7Y	YOPC	1	1
	6.58	33.49	43
	107	C	C38	YOPC	1	1
	7.01	31.73	41.81
	108	H	H8X	YOPC	1	1
	7.66	32.28	41.09
	109	H	H8Y	YOPC	1	1
	7.42	30.71	41.91
	110	C	C39	YOPC	1	1
	5.59	31.67	41.33
	111	H	H9X	YOPC	1	1
	4.8	31.66	42.1
	112	C	C310	YOPC	1	1
	5.23	31.68	40.05
	113	H	H10X	YOPC	1	1
	4.17	31.6	39.82
	114	C	C311	YOPC	1	1
	6.18	31.74	38.89
	115	H	H11X	YOPC	1	1
	7.14	31.96	39.25
	116	H	H11Y	YOPC	1	1
	5.87	32.45	38.11
	117	C	C312	YOPC	1	1
	6.55	30.46	38.21
	118	H	H12X	YOPC	1	1
	7.11	30.59	37.25
	119	H	H12Y	YOPC	1	1
	5.48	30.3	37.95
	120	C	C313	YOPC	1	1
	7.27	29.37	39.04
	121	H	H13X	YOPC	1	1
	7.01	28.35	39.08
	122	H	H13Y	YOPC	1	1
	7.2	29.4	40.14
	123	C	C314	YOPC	1	1
	8.14	28.45	38.21
	124	H	H14X	YOPC	1	1
	8.07	28.51	37.14
	125	H	H14Y	YOPC	1	1
	8.45	29.45	38.07
	126	C	C315	YOPC	1	1
	8.57	27.13	39.07
	127	H	H15X	YOPC	1	1
	7.96	26.33	38.62
	128	H	H15Y	YOPC	1	1
	8.37	27.29	40.16
	129	C	C316	YOPC	1	1
	10	26.66	39.01
	130	H	H16X	YOPC	1	1
	10.85	27.32	39.19
	131	H	H16Y	YOPC	1	1
	10.33	25.61	39.09
	132	H	H16Z	YOPC	1	1
	9.88	26.85	37.98

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

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

