# --------------------------------------------------------------------------
#
# 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 SOPG.gro
#
#---------------------------------------------------------------------------

data_SOPG

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

_entry.id	SOPG

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

_chemical.entry_id	SOPG
_chemical.name_common	'SOPG'

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

_chemical_formula.entry_id	SOPG
_chemical_formula.structural	'C42H83O10P'

###############
## 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	C13	SOPG	1	1
	17.08	11.21	60.33
	2	H	H13A	SOPG	1	1
	16.39	12.01	59.98
	3	H	H13B	SOPG	1	1
	17.53	11.54	61.29
	4	O	OC3	SOPG	1	1
	16.35	10	60.53
	5	H	HO3	SOPG	1	1
	16.25	9.91	61.48
	6	C	C12	SOPG	1	1
	18.23	11.02	59.31
	7	H	H12A	SOPG	1	1
	17.78	10.9	58.3
	8	O	OC2	SOPG	1	1
	19.09	12.16	59.27
	9	H	HO2	SOPG	1	1
	19.96	11.78	59.11
	10	C	C11	SOPG	1	1
	19.08	9.75	59.58
	11	H	H11A	SOPG	1	1
	19.86	9.68	58.79
	12	H	H11B	SOPG	1	1
	18.42	8.86	59.46
	13	P	P	SOPG	1	1
	21.07	9.25	61.2
	14	O	O13	SOPG	1	1
	21.31	9.22	62.65
	15	O	O14	SOPG	1	1
	22.02	10.08	60.42
	16	O	O12	SOPG	1	1
	19.6	9.74	60.91
	17	O	O11	SOPG	1	1
	20.96	7.77	60.7
	18	C	C1	SOPG	1	1
	22.06	7.13	60.06
	19	H	HA	SOPG	1	1
	22.15	6.13	60.54
	20	H	HB	SOPG	1	1
	23.04	7.63	60.2
	21	C	C2	SOPG	1	1
	21.8	6.93	58.54
	22	H	HS	SOPG	1	1
	22.68	6.44	58.06
	23	O	O21	SOPG	1	1
	21.54	8.17	57.87
	24	C	C21	SOPG	1	1
	22.63	8.89	57.66
	25	O	O22	SOPG	1	1
	23.78	8.55	57.89
	26	C	C22	SOPG	1	1
	22.23	10.17	56.97
	27	H	H2R	SOPG	1	1
	21.58	10.76	57.64
	28	H	H2S	SOPG	1	1
	21.7	9.94	56.03
	29	C	C3	SOPG	1	1
	20.62	5.96	58.35
	30	H	HX	SOPG	1	1
	19.73	6.35	58.88
	31	H	HY	SOPG	1	1
	20.9	4.98	58.83
	32	O	O31	SOPG	1	1
	20.4	5.74	56.96
	33	C	C31	SOPG	1	1
	19.36	6.34	56.42
	34	O	O32	SOPG	1	1
	18.5	6.99	56.98
	35	C	C32	SOPG	1	1
	19.42	6	54.95
	36	H	H2X	SOPG	1	1
	18.51	6.28	54.39
	37	H	H2Y	SOPG	1	1
	19.37	4.93	55.12
	38	C	C23	SOPG	1	1
	23.49	10.94	56.64
	39	H	H3R	SOPG	1	1
	24.14	11.08	57.55
	40	H	H3S	SOPG	1	1
	23.19	11.96	56.3
	41	C	C24	SOPG	1	1
	24.36	10.27	55.55
	42	H	H4R	SOPG	1	1
	24.81	11.24	55.35
	43	H	H4S	SOPG	1	1
	25.13	9.6	55.94
	44	C	C25	SOPG	1	1
	23.83	9.89	54.13
	45	H	H5R	SOPG	1	1
	22.92	9.26	54.14
	46	H	H5S	SOPG	1	1
	23.35	10.86	54.09
	47	C	C26	SOPG	1	1
	24.89	9.3	52.98
	48	H	H6R	SOPG	1	1
	25.69	8.96	53.7
	49	H	H6S	SOPG	1	1
	24.33	8.46	52.59
	50	C	C27	SOPG	1	1
	25.79	9.84	51.61
	51	H	H7R	SOPG	1	1
	26.55	10.2	52.32
	52	H	H7S	SOPG	1	1
	26.37	9.02	51.18
	53	C	C28	SOPG	1	1
	25.58	10.84	50.16
	54	H	H8R	SOPG	1	1
	24.72	10.3	49.71
	55	H	H8S	SOPG	1	1
	25.17	11.62	50.54
	56	C	C29	SOPG	1	1
	25.85	12.25	49.39
	57	H	H91	SOPG	1	1
	25.91	13.21	50.16
	58	C	C210	SOPG	1	1
	25.49	12.81	48.3
	59	H	H101	SOPG	1	1
	25.75	13.93	48.14
	60	C	C211	SOPG	1	1
	24.93	12.16	47.05
	61	H	H11R	SOPG	1	1
	25.11	12.69	46.14
	62	H	H11S	SOPG	1	1
	23.82	12.35	47.03
	63	C	C212	SOPG	1	1
	24.73	10.64	46.99
	64	H	H12R	SOPG	1	1
	24.51	10.14	47.93
	65	H	H12S	SOPG	1	1
	25.7	10.23	46.71
	66	C	C213	SOPG	1	1
	23.44	10.28	46.24
	67	H	H13R	SOPG	1	1
	23.12	11.05	45.5
	68	H	H13S	SOPG	1	1
	22.58	10.17	46.95
	69	C	C214	SOPG	1	1
	23.7	8.95	45.61
	70	H	H14R	SOPG	1	1
	22.77	8.46	45.27
	71	H	H14S	SOPG	1	1
	24.08	8.33	46.43
	72	C	C215	SOPG	1	1
	24.75	9.17	44.54
	73	H	H15R	SOPG	1	1
	25.41	8.28	44.46
	74	H	H15S	SOPG	1	1
	25.44	10.01	44.78
	75	C	C216	SOPG	1	1
	24.05	9.51	43.25
	76	H	H16R	SOPG	1	1
	23.37	10.38	43.42
	77	H	H16S	SOPG	1	1
	23.42	8.63	42.98
	78	C	C217	SOPG	1	1
	25.03	9.85	42.15
	79	H	H17R	SOPG	1	1
	24.46	9.91	41.19
	80	H	H17S	SOPG	1	1
	25.81	9.08	42.07
	81	C	C218	SOPG	1	1
	25.7	11.18	42.38
	82	H	H18R	SOPG	1	1
	25.53	11.58	43.4
	83	H	H18S	SOPG	1	1
	25.21	11.89	41.69
	84	H	H18T	SOPG	1	1
	26.79	11.13	42.18
	85	C	C33	SOPG	1	1
	20.73	6.48	54.27
	86	H	H3X	SOPG	1	1
	21.61	5.99	54.75
	87	H	H3Y	SOPG	1	1
	20.8	7.57	54.42
	88	C	C34	SOPG	1	1
	20.79	6.29	52.75
	89	H	H4X	SOPG	1	1
	19.81	6.52	52.31
	90	H	H4Y	SOPG	1	1
	21.06	5.24	52.48
	91	C	C35	SOPG	1	1
	21.77	7.21	52.04
	92	H	H5X	SOPG	1	1
	22.7	7.16	52.62
	93	H	H5Y	SOPG	1	1
	21.48	8.27	52.11
	94	C	C36	SOPG	1	1
	21.99	6.77	50.59
	95	H	H6X	SOPG	1	1
	22.07	5.66	50.54
	96	H	H6Y	SOPG	1	1
	22.92	7.24	50.23
	97	C	C37	SOPG	1	1
	20.96	7.19	49.56
	98	H	H7X	SOPG	1	1
	21.09	8.28	49.39
	99	H	H7Y	SOPG	1	1
	19.98	7.09	50.01
	100	C	C38	SOPG	1	1
	21.05	6.38	48.26
	101	H	H8X	SOPG	1	1
	20.98	5.28	48.45
	102	H	H8Y	SOPG	1	1
	22.06	6.58	47.83
	103	C	C39	SOPG	1	1
	20.01	6.76	47.21
	104	H	H9X	SOPG	1	1
	19.05	6.22	47.35
	105	H	H9Y	SOPG	1	1
	20.41	6.46	46.21
	106	C	C310	SOPG	1	1
	19.74	8.27	47.23
	107	H	H10X	SOPG	1	1
	20.73	8.78	47.33
	108	H	H10Y	SOPG	1	1
	19.11	8.55	48.1
	109	C	C311	SOPG	1	1
	19.1	8.75	45.96
	110	H	H11X	SOPG	1	1
	18	8.62	45.96
	111	H	H11Y	SOPG	1	1
	19.52	8.17	45.1
	112	C	C312	SOPG	1	1
	19.42	10.21	45.7
	113	H	H12X	SOPG	1	1
	20.48	10.48	45.92
	114	H	H12Y	SOPG	1	1
	18.75	10.89	46.27
	115	C	C313	SOPG	1	1
	19.19	10.37	44.23
	116	H	H13X	SOPG	1	1
	18.59	11.22	44.06
	117	H	H13Y	SOPG	1	1
	18.45	9.63	43.86
	118	C	C314	SOPG	1	1
	20.42	10.57	43.41
	119	H	H14X	SOPG	1	1
	21.06	9.67	43.31
	120	H	H14Y	SOPG	1	1
	21.04	11.45	43.72
	121	C	C315	SOPG	1	1
	19.9	10.84	42.06
	122	H	H15X	SOPG	1	1
	20.78	11.24	41.55
	123	H	H15Y	SOPG	1	1
	19.3	11.74	41.98
	124	C	C316	SOPG	1	1
	19.18	9.58	41.45
	125	H	H16X	SOPG	1	1
	18.47	9.98	40.68
	126	H	H16Y	SOPG	1	1
	18.47	9.05	42.08
	127	C	C317	SOPG	1	1
	20.17	8.58	40.78
	128	H	H17X	SOPG	1	1
	20.8	8.12	41.55
	129	H	H17Y	SOPG	1	1
	20.97	9.04	40.17
	130	C	C318	SOPG	1	1
	19.48	7.61	39.81
	131	H	H18X	SOPG	1	1
	18.94	6.83	40.38
	132	H	H18Y	SOPG	1	1
	20.22	7.13	39.13
	133	H	H18Z	SOPG	1	1
	18.76	8.15	39.16

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

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

