# --------------------------------------------------------------------------
#
# 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 TXCL1.gro
#
#---------------------------------------------------------------------------

data_TXCL1

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

_entry.id	TXCL1

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

_chemical.entry_id	TXCL1
_chemical.name_common	'TXCL1'

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

_chemical_formula.entry_id	TXCL1
_chemical_formula.structural	'C73H134O17P2'

###############
## 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	C3	TXCL1	1	1
	41.97	61.99	55.62
	2	H	HG31	TXCL1	1	1
	41.15	61.3	55.95
	3	H	HG32	TXCL1	1	1
	42.1	61.95	54.52
	4	P	P3	TXCL1	1	1
	43.75	60.24	56.42
	5	O	OP33	TXCL1	1	1
	42.69	59.42	57.04
	6	O	OP34	TXCL1	1	1
	45.09	60.22	57.04
	7	O	OP31	TXCL1	1	1
	43.21	61.73	56.29
	8	O	OP32	TXCL1	1	1
	43.95	59.84	54.87
	9	C	C31	TXCL1	1	1
	45.02	60.46	54.13
	10	H	H31J	TXCL1	1	1
	45.18	61.5	54.47
	11	H	H31K	TXCL1	1	1
	45.96	59.88	54.29
	12	C	C2	TXCL1	1	1
	41.51	63.44	55.88
	13	H	HG22	TXCL1	1	1
	42.29	64.12	55.5
	14	O	OG12	TXCL1	1	1
	40.36	63.68	55.09
	15	H	HO12	TXCL1	1	1
	40.64	63.98	54.22
	16	C	C1	TXCL1	1	1
	41.11	63.75	57.33
	17	H	HG11	TXCL1	1	1
	40.37	62.96	57.62
	18	H	HG12	TXCL1	1	1
	40.56	64.72	57.33
	19	P	P1	TXCL1	1	1
	42.86	65.07	58.76
	20	O	OP13	TXCL1	1	1
	41.86	66.17	59.29
	21	H	HP13	TXCL1	1	1
	42.21	67.06	59.29
	22	O	OP14	TXCL1	1	1
	43.88	64.87	59.8
	23	O	OP11	TXCL1	1	1
	42.18	63.75	58.26
	24	O	OP12	TXCL1	1	1
	43.42	65.75	57.48
	25	C	C11	TXCL1	1	1
	44.21	66.92	57.57
	26	H	H11J	TXCL1	1	1
	44.59	67.13	58.59
	27	H	H11K	TXCL1	1	1
	43.59	67.79	57.28
	28	C	C12	TXCL1	1	1
	45.31	66.88	56.48
	29	H	H12J	TXCL1	1	1
	45.49	67.93	56.18
	30	O	O12	TXCL1	1	1
	44.88	66.06	55.39
	31	C	CA1	TXCL1	1	1
	44.97	66.55	54.18
	32	O	OA1	TXCL1	1	1
	45.33	67.68	53.89
	33	C	CA2	TXCL1	1	1
	44.48	65.51	53.17
	34	H	H2A	TXCL1	1	1
	43.88	64.77	53.72
	35	H	H2B	TXCL1	1	1
	45.35	64.99	52.7
	36	C	C13	TXCL1	1	1
	46.65	66.29	56.96
	37	H	H13J	TXCL1	1	1
	46.53	65.18	57.05
	38	H	H13K	TXCL1	1	1
	46.91	66.66	57.97
	39	O	O13	TXCL1	1	1
	47.66	66.75	56.04
	40	C	CB1	TXCL1	1	1
	48.17	65.83	55.23
	41	O	OB1	TXCL1	1	1
	48.04	64.62	55.36
	42	C	CB2	TXCL1	1	1
	48.83	66.43	54.02
	43	H	H2D	TXCL1	1	1
	49.55	67.23	54.33
	44	H	H2E	TXCL1	1	1
	48.11	66.95	53.38
	45	C	C32	TXCL1	1	1
	44.71	60.52	52.61
	46	H	H32J	TXCL1	1	1
	43.73	61.06	52.5
	47	O	O32	TXCL1	1	1
	44.6	59.16	52.18
	48	C	CC1	TXCL1	1	1
	44.13	58.9	50.99
	49	O	OC1	TXCL1	1	1
	43.56	59.68	50.25
	50	C	CC2	TXCL1	1	1
	44.39	57.41	50.79
	51	H	H2R	TXCL1	1	1
	43.77	56.84	51.51
	52	H	H2S	TXCL1	1	1
	45.43	57.12	51.01
	53	C	C33	TXCL1	1	1
	45.8	61.26	51.77
	54	H	H33J	TXCL1	1	1
	45.36	61.69	50.84
	55	H	H33K	TXCL1	1	1
	46.16	62.15	52.33
	56	O	O33	TXCL1	1	1
	46.95	60.4	51.52
	57	C	CD1	TXCL1	1	1
	47.06	59.93	50.27
	58	O	OD1	TXCL1	1	1
	46.25	60.08	49.38
	59	C	CD2	TXCL1	1	1
	48.39	59.22	50.05
	60	H	H2X	TXCL1	1	1
	48.21	58.13	49.96
	61	H	H2Y	TXCL1	1	1
	49.02	59.4	50.95
	62	C	CA3	TXCL1	1	1
	43.54	66.19	52.15
	63	H	H3A	TXCL1	1	1
	44.13	66.77	51.4
	64	H	H3B	TXCL1	1	1
	42.95	66.93	52.74
	65	C	CA4	TXCL1	1	1
	42.54	65.23	51.49
	66	H	H4A	TXCL1	1	1
	41.94	65.74	50.7
	67	H	H4B	TXCL1	1	1
	41.8	64.87	52.24
	68	C	CA5	TXCL1	1	1
	43.19	64.04	50.78
	69	H	H5A	TXCL1	1	1
	43.46	63.24	51.49
	70	H	H5B	TXCL1	1	1
	44.15	64.36	50.32
	71	C	CA6	TXCL1	1	1
	42.37	63.57	49.56
	72	H	H6A	TXCL1	1	1
	42.99	62.82	49.04
	73	H	H6B	TXCL1	1	1
	42.26	64.44	48.87
	74	C	CA7	TXCL1	1	1
	40.99	62.92	49.78
	75	H	H7A	TXCL1	1	1
	40.33	63.59	50.37
	76	H	H7B	TXCL1	1	1
	41.07	61.96	50.33
	77	C	CA8	TXCL1	1	1
	40.29	62.62	48.43
	78	H	H8A	TXCL1	1	1
	40.56	63.35	47.65
	79	H	H8B	TXCL1	1	1
	39.2	62.76	48.6
	80	C	CA9	TXCL1	1	1
	40.68	61.25	47.91
	81	H	H9A	TXCL1	1	1
	41.48	60.72	48.45
	82	C	CA10	TXCL1	1	1
	40.1	60.64	46.87
	83	H	H10A	TXCL1	1	1
	40.42	59.66	46.52
	84	C	CA11	TXCL1	1	1
	39	61.22	46.09
	85	H	H11A	TXCL1	1	1
	38.55	62.03	46.7
	86	H	H11B	TXCL1	1	1
	38.2	60.48	45.87
	87	C	CA12	TXCL1	1	1
	39.45	61.82	44.78
	88	H	H12A	TXCL1	1	1
	40	62.78	44.93
	89	H	H12B	TXCL1	1	1
	38.44	61.93	44.33
	90	C	CA13	TXCL1	1	1
	40.15	60.9	43.83
	91	H	H13A	TXCL1	1	1
	39.54	59.98	43.76
	92	H	H13B	TXCL1	1	1
	41.17	60.72	44.19
	93	C	CA14	TXCL1	1	1
	40.26	61.36	42.41
	94	H	H14A	TXCL1	1	1
	40.88	60.6	41.89
	95	H	H14B	TXCL1	1	1
	40.74	62.37	42.31
	96	C	CA15	TXCL1	1	1
	38.89	61.42	41.83
	97	H	H15A	TXCL1	1	1
	38.82	61.6	40.74
	98	H	H15B	TXCL1	1	1
	38.24	62.08	42.44
	99	C	CA16	TXCL1	1	1
	38.06	60.48	41.33
	100	H	H16A	TXCL1	1	1
	38.8	59.74	40.91
	101	H	H16B	TXCL1	1	1
	37.14	60.65	40.73
	102	H	H16C	TXCL1	1	1
	37.62	60.31	42.34
	103	C	CB3	TXCL1	1	1
	49.37	65.17	53.29
	104	H	H3D	TXCL1	1	1
	48.63	64.44	52.99
	105	H	H3E	TXCL1	1	1
	50.09	64.58	53.9
	106	C	CB4	TXCL1	1	1
	49.92	65.44	51.93
	107	H	H4D	TXCL1	1	1
	50.53	64.63	51.5
	108	H	H4E	TXCL1	1	1
	50.66	66.08	52.24
	109	C	CB5	TXCL1	1	1
	49.16	66.36	51.01
	110	H	H5D	TXCL1	1	1
	49.69	66.46	50.04
	111	H	H5E	TXCL1	1	1
	49.11	67.4	51.41
	112	C	CB6	TXCL1	1	1
	48.09	65.59	50.38
	113	H	H6D	TXCL1	1	1
	47.69	66.29	49.61
	114	H	H6E	TXCL1	1	1
	47.41	65.43	51.21
	115	C	CB7	TXCL1	1	1
	48.64	64.26	49.81
	116	H	H7D	TXCL1	1	1
	48.86	63.5	50.61
	117	H	H7E	TXCL1	1	1
	49.62	64.39	49.29
	118	C	CB8	TXCL1	1	1
	47.66	63.64	48.8
	119	H	H8D	TXCL1	1	1
	46.7	63.45	49.32
	120	H	H8E	TXCL1	1	1
	48.07	62.66	48.5
	121	C	CB9	TXCL1	1	1
	47.41	64.49	47.58
	122	H	H9D	TXCL1	1	1
	48.18	65.24	47.37
	123	C	CB10	TXCL1	1	1
	46.33	64.49	46.78
	124	H	H10D	TXCL1	1	1
	46.39	65.12	45.88
	125	C	CB11	TXCL1	1	1
	45.08	63.63	46.9
	126	H	H11D	TXCL1	1	1
	44.12	64.21	46.91
	127	H	H11E	TXCL1	1	1
	45.11	63.01	47.83
	128	C	CB12	TXCL1	1	1
	44.93	62.71	45.68
	129	H	H12D	TXCL1	1	1
	43.94	62.22	45.79
	130	H	H12E	TXCL1	1	1
	45.72	61.93	45.68
	131	C	CB13	TXCL1	1	1
	44.98	63.49	44.35
	132	H	H13D	TXCL1	1	1
	46.04	63.7	44.05
	133	H	H13E	TXCL1	1	1
	44.51	64.48	44.54
	134	C	CB14	TXCL1	1	1
	44.27	62.78	43.2
	135	H	H14D	TXCL1	1	1
	43.23	62.56	43.49
	136	H	H14E	TXCL1	1	1
	44.77	61.8	43.03
	137	C	CB15	TXCL1	1	1
	44.22	63.57	41.88
	138	H	H15D	TXCL1	1	1
	43.42	64.34	42.02
	139	H	H15E	TXCL1	1	1
	43.85	62.9	41.06
	140	C	CB16	TXCL1	1	1
	45.52	64.25	41.45
	141	H	H16D	TXCL1	1	1
	45.43	64.61	40.4
	142	H	H16E	TXCL1	1	1
	46.39	63.56	41.53
	143	H	H16F	TXCL1	1	1
	45.71	65.12	42.12
	144	C	CC3	TXCL1	1	1
	44	56.92	49.42
	145	H	H3R	TXCL1	1	1
	42.91	57.05	49.28
	146	H	H3S	TXCL1	1	1
	44.22	55.83	49.45
	147	C	CC4	TXCL1	1	1
	44.56	57.7	48.21
	148	H	H4R	TXCL1	1	1
	45.65	57.45	48.09
	149	H	H4S	TXCL1	1	1
	44.35	58.75	48.35
	150	C	CC5	TXCL1	1	1
	43.69	57.68	46.91
	151	H	H5R	TXCL1	1	1
	42.71	57.16	46.92
	152	H	H5S	TXCL1	1	1
	44.34	56.92	46.7
	153	C	CC6	TXCL1	1	1
	44.09	58.18	45.53
	154	H	H6R	TXCL1	1	1
	43.56	59.13	45.55
	155	H	H6S	TXCL1	1	1
	43.59	57.62	44.72
	156	C	CC7	TXCL1	1	1
	45.59	58.38	45.22
	157	H	H7R	TXCL1	1	1
	45.96	59.03	46.03
	158	H	H7S	TXCL1	1	1
	45.51	58.94	44.27
	159	C	CC8	TXCL1	1	1
	46.66	57.24	45.07
	160	H	H8R	TXCL1	1	1
	46.75	56.64	45.97
	161	H	H8S	TXCL1	1	1
	47.68	57.56	44.98
	162	C	CC9	TXCL1	1	1
	46.35	56.34	43.97
	163	H	H9R	TXCL1	1	1
	45.35	56.22	44.08
	164	C	CC10	TXCL1	1	1
	46.94	55.6	43.07
	165	H	H10R	TXCL1	1	1
	46.52	54.88	42.34
	166	C	CC11	TXCL1	1	1
	48.31	55.72	43.2
	167	H	H11R	TXCL1	1	1
	48.72	55.89	44.19
	168	H	H11S	TXCL1	1	1
	48.53	54.68	42.97
	169	C	CC12	TXCL1	1	1
	48.79	56.9	42.46
	170	H	H12R	TXCL1	1	1
	48.4	57.89	42.55
	171	H	H12S	TXCL1	1	1
	48.48	56.59	41.42
	172	C	CC13	TXCL1	1	1
	50.2	57.24	43.03
	173	H	H13R	TXCL1	1	1
	50.53	56.24	42.85
	174	H	H13S	TXCL1	1	1
	50.69	56.9	43.91
	175	C	CC14	TXCL1	1	1
	51.03	58.36	42.37
	176	H	H14R	TXCL1	1	1
	50.7	59.36	42.42
	177	H	H14S	TXCL1	1	1
	50.67	58.57	41.4
	178	C	CC15	TXCL1	1	1
	52.56	58.11	42.28
	179	H	H15R	TXCL1	1	1
	53.13	57.46	41.61
	180	H	H15S	TXCL1	1	1
	52.89	58.87	41.67
	181	C	CC16	TXCL1	1	1
	53.09	58.05	43.56
	182	H	H16R	TXCL1	1	1
	52.48	57.58	44.33
	183	H	H16S	TXCL1	1	1
	52.74	59.02	43.71
	184	H	H16T	TXCL1	1	1
	54.18	58.18	43.65
	185	C	CD3	TXCL1	1	1
	49.1	59.76	48.76
	186	H	H3X	TXCL1	1	1
	50.18	59.56	48.86
	187	H	H3Y	TXCL1	1	1
	49.03	60.86	48.74
	188	C	CD4	TXCL1	1	1
	48.49	59.21	47.44
	189	H	H4X	TXCL1	1	1
	47.45	59.56	47.32
	190	H	H4Y	TXCL1	1	1
	48.53	58.1	47.42
	191	C	CD5	TXCL1	1	1
	49.1	59.66	46.11
	192	H	H5X	TXCL1	1	1
	49.03	58.94	45.28
	193	H	H5Y	TXCL1	1	1
	50.08	59.56	46.37
	194	C	CD6	TXCL1	1	1
	48.95	61.11	45.66
	195	H	H6X	TXCL1	1	1
	49.69	61.76	46.21
	196	H	H6Y	TXCL1	1	1
	47.93	61.37	45.99
	197	C	CD7	TXCL1	1	1
	49.13	61.31	44.14
	198	H	H7X	TXCL1	1	1
	50.03	60.8	43.79
	199	H	H7Y	TXCL1	1	1
	49.27	62.39	43.95
	200	C	CD8	TXCL1	1	1
	48.07	60.74	43.19
	201	H	H8X	TXCL1	1	1
	47.11	61.15	43.56
	202	H	H8Y	TXCL1	1	1
	48.04	59.64	43.33
	203	C	CD9	TXCL1	1	1
	48.3	61.13	41.74
	204	H	H9X	TXCL1	1	1
	49.15	61.83	41.6
	205	C	CD10	TXCL1	1	1
	47.67	60.67	40.64
	206	H	H10X	TXCL1	1	1
	47.87	61.12	39.66
	207	C	CD11	TXCL1	1	1
	46.56	59.64	40.6
	208	H	H11X	TXCL1	1	1
	46.36	59.27	41.63
	209	H	H11Y	TXCL1	1	1
	46.89	58.75	40.04
	210	C	CD12	TXCL1	1	1
	45.29	60.26	39.97
	211	H	H12X	TXCL1	1	1
	45.49	60.5	38.9
	212	H	H12Y	TXCL1	1	1
	45.02	61.17	40.54
	213	C	CD13	TXCL1	1	1
	44.05	59.36	39.93
	214	H	H13X	TXCL1	1	1
	44.43	58.48	39.38
	215	H	H13Y	TXCL1	1	1
	43.22	59.74	39.32
	216	C	CD14	TXCL1	1	1
	43.44	59.09	41.32
	217	H	H14X	TXCL1	1	1
	43.34	60	41.89
	218	H	H14Y	TXCL1	1	1
	44.25	58.75	41.99
	219	C	CD15	TXCL1	1	1
	42.08	58.25	41.31
	220	H	H15X	TXCL1	1	1
	41.38	58.86	40.73
	221	H	H15Y	TXCL1	1	1
	41.78	58.06	42.35
	222	C	CD16	TXCL1	1	1
	41.78	56.86	40.71
	223	H	H16X	TXCL1	1	1
	42.19	56.85	39.79
	224	H	H16Y	TXCL1	1	1
	40.81	56.44	40.64
	225	H	H16Z	TXCL1	1	1
	42.28	55.99	41.03

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

_cell.entry_id	TXCL1
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

