# --------------------------------------------------------------------------
#
# 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 TMCL1.gro
#
#---------------------------------------------------------------------------

data_TMCL1

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

_entry.id	TMCL1

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

_chemical.entry_id	TMCL1
_chemical.name_common	'TMCL1'

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

_chemical_formula.entry_id	TMCL1
_chemical_formula.structural	'C65H130O17P2'

###############
## 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	TMCL1	1	1
	39.56	31.62	57.73
	2	H	HG31	TMCL1	1	1
	38.65	31.47	57.11
	3	H	HG32	TMCL1	1	1
	39.37	32.51	58.37
	4	P	P3	TMCL1	1	1
	40.9	33.07	56.03
	5	O	OP33	TMCL1	1	1
	41.86	32.87	54.92
	6	O	OP34	TMCL1	1	1
	41.12	34.22	56.96
	7	O	OP31	TMCL1	1	1
	40.72	31.81	56.92
	8	O	OP32	TMCL1	1	1
	39.44	33.12	55.4
	9	C	C31	TMCL1	1	1
	38.62	34.26	55.55
	10	H	H31J	TMCL1	1	1
	38.14	34.42	56.53
	11	H	H31K	TMCL1	1	1
	39.29	35.03	55.66
	12	C	C2	TMCL1	1	1
	39.85	30.42	58.65
	13	H	HG22	TMCL1	1	1
	40.2	29.61	57.95
	14	O	OG12	TMCL1	1	1
	40.9	30.84	59.56
	15	H	HO12	TMCL1	1	1
	41.28	30.05	59.92
	16	C	C1	TMCL1	1	1
	38.6	29.81	59.39
	17	H	HG11	TMCL1	1	1
	38.28	30.51	60.19
	18	H	HG12	TMCL1	1	1
	38.89	28.88	59.93
	19	P	P1	TMCL1	1	1
	37.16	28.2	57.94
	20	O	OP13	TMCL1	1	1
	35.99	27.56	58.78
	21	H	HP13	TMCL1	1	1
	36.01	27.74	59.71
	22	O	OP14	TMCL1	1	1
	36.76	28.18	56.53
	23	O	OP11	TMCL1	1	1
	37.52	29.62	58.47
	24	O	OP12	TMCL1	1	1
	38.46	27.34	58.16
	25	C	C11	TMCL1	1	1
	38.74	26.16	57.42
	26	H	H11J	TMCL1	1	1
	37.83	25.69	56.98
	27	H	H11K	TMCL1	1	1
	39.2	25.4	58.1
	28	C	C12	TMCL1	1	1
	39.75	26.44	56.27
	29	H	H12J	TMCL1	1	1
	40.72	26.77	56.68
	30	O	O12	TMCL1	1	1
	39.14	27.29	55.28
	31	C	CA1	TMCL1	1	1
	39.9	28.32	54.95
	32	O	OA1	TMCL1	1	1
	41.01	28.54	55.41
	33	C	CA2	TMCL1	1	1
	39.2	29.15	53.86
	34	H	H2A	TMCL1	1	1
	38.36	29.68	54.35
	35	H	H2B	TMCL1	1	1
	38.75	28.42	53.15
	36	C	C13	TMCL1	1	1
	40.17	25.17	55.59
	37	H	H13J	TMCL1	1	1
	39.13	24.81	55.22
	38	H	H13K	TMCL1	1	1
	40.42	24.41	56.31
	39	O	O13	TMCL1	1	1
	41.45	25.41	54.81
	40	C	CB1	TMCL1	1	1
	41.12	25.14	53.59
	41	O	OB1	TMCL1	1	1
	39.96	24.84	53.4
	42	C	CB2	TMCL1	1	1
	42.33	25.17	52.46
	43	H	H2D	TMCL1	1	1
	42.94	24.32	52.81
	44	H	H2E	TMCL1	1	1
	42.79	26.12	52.62
	45	C	C32	TMCL1	1	1
	37.58	34.43	54.42
	46	H	H32J	TMCL1	1	1
	36.92	35.29	54.72
	47	O	O32	TMCL1	1	1
	36.91	33.19	54.36
	48	C	CC1	TMCL1	1	1
	36.2	32.85	55.44
	49	O	OC1	TMCL1	1	1
	35.72	33.64	56.24
	50	C	CC2	TMCL1	1	1
	35.84	31.35	55.29
	51	H	H2R	TMCL1	1	1
	34.92	31.12	55.85
	52	H	H2S	TMCL1	1	1
	36.74	30.81	55.58
	53	C	C33	TMCL1	1	1
	38.15	34.78	53
	54	H	H33J	TMCL1	1	1
	38.95	35.55	52.95
	55	H	H33K	TMCL1	1	1
	38.66	33.88	52.66
	56	O	O33	TMCL1	1	1
	37.08	35.18	52.14
	57	C	CD1	TMCL1	1	1
	37.45	35.54	50.89
	58	O	OD1	TMCL1	1	1
	38.56	35.75	50.49
	59	C	CD2	TMCL1	1	1
	36.28	35.75	49.97
	60	H	H2X	TMCL1	1	1
	36.49	35.99	48.93
	61	H	H2Y	TMCL1	1	1
	35.47	36.44	50.37
	62	C	CA3	TMCL1	1	1
	40.17	30.14	53.15
	63	H	H3A	TMCL1	1	1
	41.08	29.58	52.85
	64	H	H3B	TMCL1	1	1
	40.48	30.96	53.84
	65	C	CA4	TMCL1	1	1
	39.61	30.79	51.88
	66	H	H4A	TMCL1	1	1
	38.72	31.41	52.12
	67	H	H4B	TMCL1	1	1
	39.3	29.96	51.21
	68	C	CA5	TMCL1	1	1
	40.62	31.68	51.14
	69	H	H5A	TMCL1	1	1
	41.46	31.05	50.79
	70	H	H5B	TMCL1	1	1
	41.05	32.49	51.78
	71	C	CA6	TMCL1	1	1
	39.93	32.33	49.94
	72	H	H6A	TMCL1	1	1
	39.23	33.11	50.32
	73	H	H6B	TMCL1	1	1
	39.3	31.53	49.47
	74	C	CA7	TMCL1	1	1
	40.95	32.91	48.95
	75	H	H7A	TMCL1	1	1
	41.59	32.05	48.62
	76	H	H7B	TMCL1	1	1
	41.6	33.69	49.41
	77	C	CA8	TMCL1	1	1
	40.36	33.58	47.73
	78	H	H8A	TMCL1	1	1
	39.85	34.52	48.06
	79	H	H8B	TMCL1	1	1
	39.57	32.89	47.35
	80	C	CA9	TMCL1	1	1
	41.44	33.9	46.64
	81	H	H9A	TMCL1	1	1
	42.09	33.03	46.48
	82	H	H9B	TMCL1	1	1
	42.04	34.79	46.95
	83	C	CA10	TMCL1	1	1
	40.84	34.19	45.3
	84	H	H10A	TMCL1	1	1
	40.54	33.32	44.68
	85	H	H10B	TMCL1	1	1
	41.4	34.88	44.6
	86	C	CA11	TMCL1	1	1
	39.61	34.8	45.79
	87	H	H11A	TMCL1	1	1
	39.78	35.71	46.48
	88	H	H11B	TMCL1	1	1
	38.69	34.16	45.98
	89	C	CA12	TMCL1	1	1
	39.17	35.31	44.67
	90	H	H12A	TMCL1	1	1
	39.93	36.02	44.15
	91	H	H12B	TMCL1	1	1
	38.43	35.89	45.46
	92	C	CA13	TMCL1	1	1
	38.59	34.26	43.53
	93	H	H13A	TMCL1	1	1
	38.23	33.32	43.89
	94	H	H13B	TMCL1	1	1
	39.32	34.29	42.66
	95	C	CA14	TMCL1	1	1
	37.14	34.09	42.9
	96	H	H14A	TMCL1	1	1
	36.86	33.8	41.86
	97	H	H14B	TMCL1	1	1
	37.67	34.99	42.79
	98	H	H14C	TMCL1	1	1
	36.15	34.5	43.19
	99	C	CB3	TMCL1	1	1
	42.29	25.11	50.83
	100	H	H3D	TMCL1	1	1
	42.09	24.1	50.45
	101	H	H3E	TMCL1	1	1
	42.86	24.51	50.2
	102	C	CB4	TMCL1	1	1
	41.41	26.16	50.14
	103	H	H4D	TMCL1	1	1
	42.03	27.02	50.23
	104	H	H4E	TMCL1	1	1
	40.45	26.31	50.68
	105	C	CB5	TMCL1	1	1
	41.14	26.14	48.64
	106	H	H5D	TMCL1	1	1
	40.09	25.88	48.39
	107	H	H5E	TMCL1	1	1
	41.8	25.49	48.06
	108	C	CB6	TMCL1	1	1
	40.64	27.28	47.96
	109	H	H6D	TMCL1	1	1
	40.29	27.05	46.97
	110	H	H6E	TMCL1	1	1
	41.64	27.62	47.75
	111	C	CB7	TMCL1	1	1
	39.4	27.79	48.69
	112	H	H7D	TMCL1	1	1
	39.8	28.08	49.67
	113	H	H7E	TMCL1	1	1
	38.6	27.02	48.89
	114	C	CB8	TMCL1	1	1
	38.78	28.93	47.92
	115	H	H8D	TMCL1	1	1
	39.62	29.65	47.83
	116	H	H8E	TMCL1	1	1
	37.99	29.35	48.56
	117	C	CB9	TMCL1	1	1
	38.23	28.62	46.5
	118	H	H9D	TMCL1	1	1
	38.92	27.99	45.92
	119	H	H9E	TMCL1	1	1
	38.06	29.53	45.91
	120	C	CB10	TMCL1	1	1
	36.91	27.92	46.55
	121	H	H10D	TMCL1	1	1
	36.18	28.57	47.05
	122	H	H10E	TMCL1	1	1
	37.14	27.08	47.22
	123	C	CB11	TMCL1	1	1
	36.36	27.44	45.2
	124	H	H11D	TMCL1	1	1
	36.31	28.27	44.52
	125	H	H11E	TMCL1	1	1
	35.33	27.05	45.05
	126	C	CB12	TMCL1	1	1
	37.19	26.34	44.75
	127	H	H12D	TMCL1	1	1
	37.11	25.58	45.57
	128	H	H12E	TMCL1	1	1
	38.2	26.63	44.45
	129	C	CB13	TMCL1	1	1
	36.65	25.61	43.68
	130	H	H13D	TMCL1	1	1
	36	24.94	44.3
	131	H	H13E	TMCL1	1	1
	37.33	24.79	43.46
	132	C	CB14	TMCL1	1	1
	35.94	26.4	42.54
	133	H	H14D	TMCL1	1	1
	34.88	26.64	42.77
	134	H	H14E	TMCL1	1	1
	35.73	25.79	41.68
	135	H	H14F	TMCL1	1	1
	36.47	26.9	41.75
	136	C	CC3	TMCL1	1	1
	35.7	30.83	53.87
	137	H	H3R	TMCL1	1	1
	36.53	31.07	53.19
	138	H	H3S	TMCL1	1	1
	34.67	31.1	53.67
	139	C	CC4	TMCL1	1	1
	35.37	29.5	53.43
	140	H	H4R	TMCL1	1	1
	35.89	29.18	52.51
	141	H	H4S	TMCL1	1	1
	35.68	28.94	54.34
	142	C	CC5	TMCL1	1	1
	33.89	29.39	53.04
	143	H	H5R	TMCL1	1	1
	33.36	29.71	53.99
	144	H	H5S	TMCL1	1	1
	33.83	28.32	52.65
	145	C	CC6	TMCL1	1	1
	33.08	29.52	51.83
	146	H	H6R	TMCL1	1	1
	33.78	29.24	51.03
	147	H	H6S	TMCL1	1	1
	32.89	30.52	52
	148	C	CC7	TMCL1	1	1
	31.7	28.86	51.78
	149	H	H7R	TMCL1	1	1
	31.08	28.98	52.7
	150	H	H7S	TMCL1	1	1
	31.93	27.81	51.61
	151	C	CC8	TMCL1	1	1
	30.83	29.41	50.66
	152	H	H8R	TMCL1	1	1
	30.89	30.49	50.61
	153	H	H8S	TMCL1	1	1
	29.78	29.05	50.83
	154	C	CC9	TMCL1	1	1
	31.25	28.98	49.3
	155	H	H9R	TMCL1	1	1
	30.58	29.11	48.48
	156	H	H9S	TMCL1	1	1
	31.21	27.95	49.64
	157	C	CC10	TMCL1	1	1
	32.45	29.63	48.62
	158	H	H10R	TMCL1	1	1
	33.42	29.53	49.15
	159	H	H10S	TMCL1	1	1
	32.07	30.57	48.81
	160	C	CC11	TMCL1	1	1
	32.67	29.52	47.08
	161	H	H11R	TMCL1	1	1
	32.47	28.47	46.85
	162	H	H11S	TMCL1	1	1
	33.7	29.81	46.79
	163	C	CC12	TMCL1	1	1
	31.76	29.76	45.97
	164	H	H12R	TMCL1	1	1
	31.42	30.78	46.19
	165	H	H12S	TMCL1	1	1
	30.96	28.99	46.01
	166	C	CC13	TMCL1	1	1
	32.39	29.63	44.6
	167	H	H13R	TMCL1	1	1
	32.53	28.55	44.36
	168	H	H13S	TMCL1	1	1
	33.36	30.14	44.56
	169	C	CC14	TMCL1	1	1
	31.45	30.25	43.61
	170	H	H14R	TMCL1	1	1
	31.68	30	42.57
	171	H	H14S	TMCL1	1	1
	31.25	31.33	43.79
	172	H	H14T	TMCL1	1	1
	30.54	29.72	43.82
	173	C	CD3	TMCL1	1	1
	35.82	34.46	49.87
	174	H	H3X	TMCL1	1	1
	34.9	34.94	49.44
	175	H	H3Y	TMCL1	1	1
	35.66	34.2	50.91
	176	C	CD4	TMCL1	1	1
	36.26	33.32	48.95
	177	H	H4X	TMCL1	1	1
	35.88	32.31	49.25
	178	H	H4Y	TMCL1	1	1
	37.33	33.25	49.11
	179	C	CD5	TMCL1	1	1
	35.74	33.47	47.52
	180	H	H5X	TMCL1	1	1
	36.03	34.46	47.15
	181	H	H5Y	TMCL1	1	1
	34.66	33.44	47.33
	182	C	CD6	TMCL1	1	1
	36.01	32.21	46.72
	183	H	H6X	TMCL1	1	1
	35.39	31.38	47.15
	184	H	H6Y	TMCL1	1	1
	37.07	31.93	46.84
	185	C	CD7	TMCL1	1	1
	35.57	32.31	45.26
	186	H	H7X	TMCL1	1	1
	36.01	33.21	44.8
	187	H	H7Y	TMCL1	1	1
	34.47	32.43	45.2
	188	C	CD8	TMCL1	1	1
	35.96	31.03	44.52
	189	H	H8X	TMCL1	1	1
	35.39	30.21	45.02
	190	H	H8Y	TMCL1	1	1
	37.02	30.77	44.68
	191	C	CD9	TMCL1	1	1
	35.7	31.09	43.01
	192	H	H9X	TMCL1	1	1
	36.04	32.06	42.62
	193	H	H9Y	TMCL1	1	1
	34.63	31.06	42.76
	194	C	CD10	TMCL1	1	1
	36.44	30.03	42.19
	195	H	H10X	TMCL1	1	1
	36.02	30.07	41.16
	196	H	H10Y	TMCL1	1	1
	36.29	28.99	42.53
	197	C	CD11	TMCL1	1	1
	37.91	30.39	42.12
	198	H	H11X	TMCL1	1	1
	38.42	30.4	43.12
	199	H	H11Y	TMCL1	1	1
	37.91	31.42	41.71
	200	C	CD12	TMCL1	1	1
	38.68	29.56	41.14
	201	H	H12X	TMCL1	1	1
	38.08	29.46	40.2
	202	H	H12Y	TMCL1	1	1
	38.85	28.54	41.56
	203	C	CD13	TMCL1	1	1
	40.03	30.2	40.94
	204	H	H13X	TMCL1	1	1
	40.62	29.46	40.5
	205	H	H13Y	TMCL1	1	1
	40.61	30.29	41.86
	206	C	CD14	TMCL1	1	1
	40.08	31.52	40.21
	207	H	H14X	TMCL1	1	1
	39.29	32.21	40.47
	208	H	H14Y	TMCL1	1	1
	39.8	31.4	39.21
	209	H	H14Z	TMCL1	1	1
	41.08	31.99	40.17

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

_cell.entry_id	TMCL1
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

