# --------------------------------------------------------------------------
#
# 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 SOPC.gro
#
#---------------------------------------------------------------------------

data_SOPC

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

_entry.id	SOPC

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

_chemical.entry_id	SOPC
_chemical.name_common	'SOPC'

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

_chemical_formula.entry_id	SOPC
_chemical_formula.structural	'C44H89NO8P'

###############
## 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	SOPC	1	1
	37.66	25.55	61.99
	2	C	C12	SOPC	1	1
	37.95	24.76	60.75
	3	H	H12A	SOPC	1	1
	36.97	24.52	60.34
	4	H	H12B	SOPC	1	1
	38.35	23.78	61.02
	5	C	C13	SOPC	1	1
	37.28	26.95	61.63
	6	H	H13A	SOPC	1	1
	38.05	27.42	61.03
	7	H	H13B	SOPC	1	1
	36.48	26.99	60.9
	8	H	H13C	SOPC	1	1
	36.91	27.51	62.47
	9	C	C14	SOPC	1	1
	36.77	24.72	62.84
	10	H	H14A	SOPC	1	1
	35.89	24.55	62.25
	11	H	H14B	SOPC	1	1
	36.4	25.18	63.74
	12	H	H14C	SOPC	1	1
	37.05	23.68	63
	13	C	C15	SOPC	1	1
	38.82	25.73	62.84
	14	H	H15A	SOPC	1	1
	39.2	24.77	63.13
	15	H	H15B	SOPC	1	1
	39.52	26.3	62.24
	16	H	H15C	SOPC	1	1
	38.46	26.29	63.69
	17	C	C11	SOPC	1	1
	38.76	25.29	59.58
	18	H	H11A	SOPC	1	1
	38.23	26.16	59.13
	19	H	H11B	SOPC	1	1
	38.82	24.51	58.79
	20	P	P	SOPC	1	1
	41	26.55	59.32
	21	O	O13	SOPC	1	1
	41.81	25.73	58.39
	22	O	O14	SOPC	1	1
	41.71	27.34	60.35
	23	O	O12	SOPC	1	1
	40.04	25.57	60.08
	24	O	O11	SOPC	1	1
	39.97	27.43	58.48
	25	C	C1	SOPC	1	1
	39.47	28.64	59.04
	26	H	HA	SOPC	1	1
	39.21	28.53	60.11
	27	H	HB	SOPC	1	1
	40.27	29.42	58.98
	28	C	C2	SOPC	1	1
	38.15	29.12	58.35
	29	H	HS	SOPC	1	1
	37.86	30.09	58.82
	30	O	O21	SOPC	1	1
	37.07	28.21	58.47
	31	C	C21	SOPC	1	1
	35.98	28.69	57.88
	32	O	O22	SOPC	1	1
	35.63	29.84	57.81
	33	C	C22	SOPC	1	1
	35.27	27.5	57.32
	34	H	H2R	SOPC	1	1
	35.37	26.69	58.07
	35	H	H2S	SOPC	1	1
	34.23	27.74	57.1
	36	C	C3	SOPC	1	1
	38.36	29.41	56.88
	37	H	HX	SOPC	1	1
	38.99	30.26	57.11
	38	H	HY	SOPC	1	1
	37.49	29.93	56.38
	39	O	O31	SOPC	1	1
	38.88	28.37	56
	40	C	C31	SOPC	1	1
	40.08	28.13	55.44
	41	O	O32	SOPC	1	1
	41.18	28.55	55.61
	42	C	C32	SOPC	1	1
	39.92	27.22	54.31
	43	H	H2X	SOPC	1	1
	38.97	27.43	53.79
	44	H	H2Y	SOPC	1	1
	40.79	27.49	53.66
	45	C	C23	SOPC	1	1
	35.98	26.81	56.21
	46	H	H3R	SOPC	1	1
	36.97	26.45	56.56
	47	H	H3S	SOPC	1	1
	36.21	27.48	55.39
	48	C	C24	SOPC	1	1
	35.09	25.67	55.77
	49	H	H4R	SOPC	1	1
	34.77	25.26	56.74
	50	H	H4S	SOPC	1	1
	34.04	25.86	55.45
	51	C	C25	SOPC	1	1
	35.97	24.73	54.91
	52	H	H5R	SOPC	1	1
	35.58	23.72	54.64
	53	H	H5S	SOPC	1	1
	36.97	24.61	55.37
	54	C	C26	SOPC	1	1
	36.11	25.17	53.55
	55	H	H6R	SOPC	1	1
	36.35	26.25	53.67
	56	H	H6S	SOPC	1	1
	36.95	24.7	53.01
	57	C	C27	SOPC	1	1
	34.83	24.79	52.78
	58	H	H7R	SOPC	1	1
	33.92	25.21	53.29
	59	H	H7S	SOPC	1	1
	34.62	23.74	52.51
	60	C	C28	SOPC	1	1
	35.05	25.39	51.45
	61	H	H8R	SOPC	1	1
	35.39	26.24	52.02
	62	H	H8S	SOPC	1	1
	34.13	25.66	50.95
	63	C	C29	SOPC	1	1
	36.13	25.19	50.48
	64	H	H91	SOPC	1	1
	37.15	25.41	50.86
	65	C	C210	SOPC	1	1
	35.91	25.23	49.16
	66	H	H101	SOPC	1	1
	36.78	25.16	48.51
	67	C	C211	SOPC	1	1
	34.59	25.48	48.45
	68	H	H11R	SOPC	1	1
	33.71	25.49	49.14
	69	H	H11S	SOPC	1	1
	34.42	24.56	47.88
	70	C	C212	SOPC	1	1
	34.32	26.77	47.59
	71	H	H12R	SOPC	1	1
	33.31	26.91	47.43
	72	H	H12S	SOPC	1	1
	34.3	27.78	47.98
	73	C	C213	SOPC	1	1
	35.02	27.03	46.31
	74	H	H13R	SOPC	1	1
	36.05	26.76	46.56
	75	H	H13S	SOPC	1	1
	35.12	26.27	45.56
	76	C	C214	SOPC	1	1
	34.57	28.48	45.89
	77	H	H14R	SOPC	1	1
	35.14	29.32	46.32
	78	H	H14S	SOPC	1	1
	33.52	28.7	46.11
	79	C	C215	SOPC	1	1
	34.7	28.86	44.48
	80	H	H15R	SOPC	1	1
	35.68	29.2	44.55
	81	H	H15S	SOPC	1	1
	34.57	29.9	44.2
	82	C	C216	SOPC	1	1
	34.38	27.74	43.52
	83	H	H16R	SOPC	1	1
	34.78	27.69	42.5
	84	H	H16S	SOPC	1	1
	34.81	26.77	43.77
	85	C	C217	SOPC	1	1
	32.93	27.94	43.27
	86	H	H17R	SOPC	1	1
	32.46	27.36	44
	87	H	H17S	SOPC	1	1
	32.63	28.95	43.59
	88	C	C218	SOPC	1	1
	32.48	27.67	41.85
	89	H	H18R	SOPC	1	1
	32.38	26.69	41.62
	90	H	H18S	SOPC	1	1
	31.43	27.82	41.69
	91	H	H18T	SOPC	1	1
	33.28	27.44	41.11
	92	C	C33	SOPC	1	1
	40.09	25.92	55.08
	93	H	H3X	SOPC	1	1
	39.24	25.81	55.79
	94	H	H3Y	SOPC	1	1
	41.02	25.95	55.72
	95	C	C34	SOPC	1	1
	40.21	24.71	54.18
	96	H	H4X	SOPC	1	1
	40.52	23.84	54.81
	97	H	H4Y	SOPC	1	1
	39.23	24.5	53.72
	98	C	C35	SOPC	1	1
	41.29	24.9	53.13
	99	H	H5X	SOPC	1	1
	42.21	25.05	53.71
	100	H	H5Y	SOPC	1	1
	41.1	25.75	52.45
	101	C	C36	SOPC	1	1
	41.48	23.67	52.29
	102	H	H6X	SOPC	1	1
	42.33	23.77	51.58
	103	H	H6Y	SOPC	1	1
	41.81	22.87	52.99
	104	C	C37	SOPC	1	1
	40.21	23.42	51.49
	105	H	H7X	SOPC	1	1
	39.73	24.33	51.09
	106	H	H7Y	SOPC	1	1
	39.48	22.85	52.11
	107	C	C38	SOPC	1	1
	40.59	22.61	50.3
	108	H	H8X	SOPC	1	1
	41.52	22.71	49.78
	109	H	H8Y	SOPC	1	1
	40.8	21.81	50.99
	110	C	C39	SOPC	1	1
	39.5	22.22	49.36
	111	H	H9X	SOPC	1	1
	39.9	21.31	48.84
	112	H	H9Y	SOPC	1	1
	38.65	22.01	50.04
	113	C	C310	SOPC	1	1
	39.22	23.12	48.18
	114	H	H10X	SOPC	1	1
	38.98	24.09	48.62
	115	H	H10Y	SOPC	1	1
	40.14	22.99	47.56
	116	C	C311	SOPC	1	1
	38.05	22.72	47.3
	117	H	H11X	SOPC	1	1
	37.2	22.38	47.94
	118	H	H11Y	SOPC	1	1
	38.6	21.97	46.66
	119	C	C312	SOPC	1	1
	37.46	23.44	46.17
	120	H	H12X	SOPC	1	1
	36.76	22.84	45.53
	121	H	H12Y	SOPC	1	1
	36.85	24.24	46.61
	122	C	C313	SOPC	1	1
	38.61	23.83	45.32
	123	H	H13X	SOPC	1	1
	39.32	24.41	45.94
	124	H	H13Y	SOPC	1	1
	39.24	22.99	44.94
	125	C	C314	SOPC	1	1
	38	24.63	44.22
	126	H	H14X	SOPC	1	1
	37.3	25.3	44.72
	127	H	H14Y	SOPC	1	1
	37.31	24.08	43.55
	128	C	C315	SOPC	1	1
	39.17	25.18	43.47
	129	H	H15X	SOPC	1	1
	40.01	25.47	44.13
	130	H	H15Y	SOPC	1	1
	39.53	24.3	43.05
	131	C	C316	SOPC	1	1
	38.92	26.17	42.36
	132	H	H16X	SOPC	1	1
	39.78	26.41	41.81
	133	H	H16Y	SOPC	1	1
	39.05	27.13	42.83
	134	C	C317	SOPC	1	1
	37.78	25.92	41.37
	135	H	H17X	SOPC	1	1
	36.84	25.71	41.92
	136	H	H17Y	SOPC	1	1
	37.97	25.01	40.8
	137	C	C318	SOPC	1	1
	37.54	27.06	40.37
	138	H	H18X	SOPC	1	1
	37.47	28.07	40.75
	139	H	H18Y	SOPC	1	1
	36.53	26.94	39.98
	140	H	H18Z	SOPC	1	1
	38.2	27.04	39.52

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

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

