# --------------------------------------------------------------------------
#
# 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 TMCL2.gro
#
#---------------------------------------------------------------------------

data_TMCL2

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

_entry.id	TMCL2

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

_chemical.entry_id	TMCL2
_chemical.name_common	'TMCL2'

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

_chemical_formula.entry_id	TMCL2
_chemical_formula.structural	'C65H126O17P2'

###############
## 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	TMCL2	1	1
	8.34	5.57	58.3
	2	H	HG31	TMCL2	1	1
	9.02	6.1	59.04
	3	H	HG32	TMCL2	1	1
	8.92	5.51	57.36
	4	P	P3	TMCL2	1	1
	7.23	7.72	58.13
	5	O	OP33	TMCL2	1	1
	8.64	7.93	57.77
	6	O	OP34	TMCL2	1	1
	6.79	8.05	59.5
	7	O	OP31	TMCL2	1	1
	7.12	6.23	57.93
	8	O	OP32	TMCL2	1	1
	6.28	8.28	57.02
	9	C	C31	TMCL2	1	1
	5.23	7.47	56.53
	10	H	H31J	TMCL2	1	1
	5.6	6.44	56.32
	11	H	H31K	TMCL2	1	1
	4.43	7.41	57.29
	12	C	C2	TMCL2	1	1
	7.92	4.24	58.87
	13	H	HG22	TMCL2	1	1
	8.79	3.61	59.07
	14	O	OG12	TMCL2	1	1
	7.29	4.39	60.14
	15	H	HO12	TMCL2	1	1
	6.62	3.71	60.11
	16	C	C1	TMCL2	1	1
	6.97	3.55	57.88
	17	H	HG11	TMCL2	1	1
	6.05	4.18	57.88
	18	H	HG12	TMCL2	1	1
	6.74	2.53	58.23
	19	P	P1	TMCL2	1	1
	6.73	2.89	55.36
	20	O	OP13	TMCL2	1	1
	7.4	3.15	54.06
	21	O	OP14	TMCL2	1	1
	6.46	1.49	55.73
	22	O	OP11	TMCL2	1	1
	7.52	3.52	56.57
	23	O	OP12	TMCL2	1	1
	5.38	3.7	55.38
	24	C	C11	TMCL2	1	1
	4.21	3.09	55.9
	25	H	H11J	TMCL2	1	1
	4.15	3.2	56.99
	26	H	H11K	TMCL2	1	1
	4.18	2	55.72
	27	C	C12	TMCL2	1	1
	2.99	3.63	55.15
	28	H	H12J	TMCL2	1	1
	2.13	2.93	55.27
	29	O	O12	TMCL2	1	1
	3.22	3.9	53.76
	30	C	CA1	TMCL2	1	1
	3.44	2.82	53.12
	31	O	OA1	TMCL2	1	1
	3.3	1.67	53.51
	32	C	CA2	TMCL2	1	1
	3.88	3.21	51.73
	33	H	H2A	TMCL2	1	1
	4.93	3.56	51.8
	34	H	H2B	TMCL2	1	1
	3.26	4.05	51.35
	35	C	C13	TMCL2	1	1
	2.54	4.93	55.67
	36	H	H13J	TMCL2	1	1
	3.32	5.65	55.95
	37	H	H13K	TMCL2	1	1
	2.11	4.68	56.67
	38	O	O13	TMCL2	1	1
	1.65	5.51	54.64
	39	C	CB1	TMCL2	1	1
	0.6	4.76	54.26
	40	O	OB1	TMCL2	1	1
	0.21	3.72	54.77
	41	C	CB2	TMCL2	1	1
	-0.43	5.64	53.55
	42	H	H2D	TMCL2	1	1
	-0.98	6.49	53.94
	43	H	H2E	TMCL2	1	1
	-1.17	4.86	53.54
	44	C	C32	TMCL2	1	1
	4.58	8.07	55.27
	45	H	H32J	TMCL2	1	1
	3.96	7.26	54.81
	46	O	O32	TMCL2	1	1
	5.56	8.6	54.33
	47	C	CC1	TMCL2	1	1
	6.37	7.65	53.88
	48	O	OC1	TMCL2	1	1
	6.16	6.46	53.93
	49	C	CC2	TMCL2	1	1
	7.58	8.26	53.2
	50	H	H2R	TMCL2	1	1
	8.21	8.68	54.01
	51	H	H2S	TMCL2	1	1
	7.26	9.08	52.55
	52	C	C33	TMCL2	1	1
	3.56	9.19	55.63
	53	H	H33J	TMCL2	1	1
	2.66	8.75	56.12
	54	H	H33K	TMCL2	1	1
	4	9.85	56.41
	55	O	O33	TMCL2	1	1
	3.25	9.98	54.46
	56	C	CD1	TMCL2	1	1
	2.54	9.32	53.55
	57	O	OD1	TMCL2	1	1
	1.95	8.28	53.75
	58	C	CD2	TMCL2	1	1
	2.58	10.06	52.22
	59	H	H2X	TMCL2	1	1
	3.58	10.43	51.99
	60	H	H2Y	TMCL2	1	1
	1.96	10.94	52.32
	61	C	CA3	TMCL2	1	1
	3.75	2.01	50.8
	62	H	H3A	TMCL2	1	1
	2.67	1.72	50.76
	63	H	H3B	TMCL2	1	1
	4.28	1.09	51.15
	64	C	CA4	TMCL2	1	1
	4.24	2.39	49.4
	65	H	H4A	TMCL2	1	1
	5.34	2.56	49.41
	66	H	H4B	TMCL2	1	1
	3.77	3.36	49.1
	67	C	CA5	TMCL2	1	1
	3.84	1.28	48.44
	68	H	H5A	TMCL2	1	1
	2.75	1.34	48.31
	69	H	H5B	TMCL2	1	1
	4	0.32	48.95
	70	C	CA6	TMCL2	1	1
	4.61	1.21	47.12
	71	H	H6A	TMCL2	1	1
	5.67	0.98	47.39
	72	H	H6B	TMCL2	1	1
	4.62	2.16	46.55
	73	C	CA7	TMCL2	1	1
	4.1	0.1	46.21
	74	H	H7A	TMCL2	1	1
	3.17	0.43	45.71
	75	H	H7B	TMCL2	1	1
	3.83	-0.79	46.83
	76	C	CA8	TMCL2	1	1
	5.21	-0.36	45.25
	77	H	H8A	TMCL2	1	1
	4.77	-1.19	44.68
	78	H	H8B	TMCL2	1	1
	6.09	-0.72	45.82
	79	C	CA9	TMCL2	1	1
	5.8	0.61	44.25
	80	H	H9A	TMCL2	1	1
	6.52	0.04	43.62
	81	H	H9B	TMCL2	1	1
	6.36	1.39	44.81
	82	C	CA10	TMCL2	1	1
	4.79	1.25	43.31
	83	H	H10A	TMCL2	1	1
	5.37	1.97	42.69
	84	H	H10B	TMCL2	1	1
	4.05	1.78	43.93
	85	C	CA11	TMCL2	1	1
	4.1	0.25	42.38
	86	H	H11A	TMCL2	1	1
	3.43	-0.46	42.91
	87	H	H11B	TMCL2	1	1
	4.92	-0.34	41.92
	88	C	CA12	TMCL2	1	1
	3.29	0.91	41.26
	89	H	H12A	TMCL2	1	1
	3.93	1.7	40.82
	90	H	H12B	TMCL2	1	1
	2.34	1.36	41.6
	91	C	CA13	TMCL2	1	1
	2.91	-0.13	40.22
	92	H	H13A	TMCL2	1	1
	2.54	-1.02	40.77
	93	H	H13B	TMCL2	1	1
	3.83	-0.4	39.64
	94	C	CA14	TMCL2	1	1
	1.78	0.26	39.29
	95	H	H14A	TMCL2	1	1
	0.89	0.61	39.84
	96	H	H14B	TMCL2	1	1
	1.53	-0.58	38.61
	97	H	H14C	TMCL2	1	1
	2.12	1.09	38.72
	98	C	CB3	TMCL2	1	1
	-0.06	6.27	52.3
	99	H	H3D	TMCL2	1	1
	0.66	5.55	51.95
	100	H	H3E	TMCL2	1	1
	0.34	7.28	52.52
	101	C	CB4	TMCL2	1	1
	-1.26	6.43	51.45
	102	H	H4D	TMCL2	1	1
	-1.9	7.25	51.84
	103	H	H4E	TMCL2	1	1
	-1.8	5.45	51.35
	104	C	CB5	TMCL2	1	1
	-1	7.12	50.18
	105	H	H5D	TMCL2	1	1
	-0.6	8.12	50.38
	106	H	H5E	TMCL2	1	1
	-2	7.43	49.79
	107	C	CB6	TMCL2	1	1
	-0.07	6.22	49.36
	108	H	H6D	TMCL2	1	1
	0.87	6.09	49.91
	109	H	H6E	TMCL2	1	1
	0.18	6.87	48.49
	110	C	CB7	TMCL2	1	1
	-0.4	4.68	49.11
	111	H	H7D	TMCL2	1	1
	-1.2	4.28	48.49
	112	H	H7E	TMCL2	1	1
	-1.05	4.19	49.84
	113	C	CB8	TMCL2	1	1
	0.73	4	48.32
	114	H	H8D	TMCL2	1	1
	0.36	2.97	48.08
	115	H	H8E	TMCL2	1	1
	1.58	4.07	48.99
	116	C	CB9	TMCL2	1	1
	1.27	4.56	46.98
	117	H	H9D	TMCL2	1	1
	1.4	5.66	46.85
	118	H	H9E	TMCL2	1	1
	0.44	4.22	46.38
	119	C	CB10	TMCL2	1	1
	2.33	3.7	46.32
	120	H	H10D	TMCL2	1	1
	1.94	2.68	46.5
	121	H	H10E	TMCL2	1	1
	3.25	3.87	46.9
	122	C	CB11	TMCL2	1	1
	2.59	3.9	44.81
	123	H	H11D	TMCL2	1	1
	3.6	3.53	44.55
	124	H	H11E	TMCL2	1	1
	2.62	4.97	44.55
	125	C	CB12	TMCL2	1	1
	1.52	3.24	43.94
	126	H	H12D	TMCL2	1	1
	0.49	3.36	44.35
	127	H	H12E	TMCL2	1	1
	1.72	2.16	43.88
	128	C	CB13	TMCL2	1	1
	1.49	3.58	42.47
	129	H	H13D	TMCL2	1	1
	2.44	3.8	41.98
	130	H	H13E	TMCL2	1	1
	1.54	4.59	42.15
	131	C	CB14	TMCL2	1	1
	0.28	2.86	41.81
	132	H	H14D	TMCL2	1	1
	0.07	3.09	40.76
	133	H	H14E	TMCL2	1	1
	-0.7	3.08	42.27
	134	H	H14F	TMCL2	1	1
	0.44	1.82	41.75
	135	C	CC3	TMCL2	1	1
	8.37	7.26	52.33
	136	H	H3R	TMCL2	1	1
	8.53	6.29	52.84
	137	H	H3S	TMCL2	1	1
	9.37	7.72	52.15
	138	C	CC4	TMCL2	1	1
	7.68	7.01	50.98
	139	H	H4R	TMCL2	1	1
	7.76	7.92	50.36
	140	H	H4S	TMCL2	1	1
	6.61	6.78	51.1
	141	C	CC5	TMCL2	1	1
	8.33	5.85	50.21
	142	H	H5R	TMCL2	1	1
	8.28	4.91	50.8
	143	H	H5S	TMCL2	1	1
	9.35	6.15	50.23
	144	C	CC6	TMCL2	1	1
	7.73	5.64	48.81
	145	H	H6R	TMCL2	1	1
	7.97	6.46	48.1
	146	H	H6S	TMCL2	1	1
	6.64	5.69	49.03
	147	C	CC7	TMCL2	1	1
	7.99	4.26	48.18
	148	H	H7R	TMCL2	1	1
	7.79	3.47	48.94
	149	H	H7S	TMCL2	1	1
	9.05	4.19	47.89
	150	C	CC8	TMCL2	1	1
	7.15	4.02	46.9
	151	H	H8R	TMCL2	1	1
	6.09	4.21	47.19
	152	H	H8S	TMCL2	1	1
	7.22	2.97	46.54
	153	C	CC9	TMCL2	1	1
	7.54	4.9	45.7
	154	H	H9R	TMCL2	1	1
	8.62	4.9	45.48
	155	H	H9S	TMCL2	1	1
	7.28	5.88	46.12
	156	C	CC10	TMCL2	1	1
	6.8	4.54	44.39
	157	H	H10R	TMCL2	1	1
	5.71	4.74	44.52
	158	H	H10S	TMCL2	1	1
	6.97	3.47	44.21
	159	C	CC11	TMCL2	1	1
	7.21	5.29	43.12
	160	H	H11R	TMCL2	1	1
	7	6.29	43.49
	161	H	H11S	TMCL2	1	1
	6.55	5.23	42.24
	162	C	CC12	TMCL2	1	1
	8.66	5.18	42.59
	163	H	H12R	TMCL2	1	1
	9.37	5.68	43.31
	164	H	H12S	TMCL2	1	1
	8.68	5.78	41.64
	165	C	CC13	TMCL2	1	1
	9.22	3.89	42.27
	166	H	H13R	TMCL2	1	1
	9.35	3.37	43.25
	167	H	H13S	TMCL2	1	1
	10.23	4.05	41.83
	168	C	CC14	TMCL2	1	1
	8.39	3.23	41.2
	169	H	H14R	TMCL2	1	1
	7.46	2.8	41.64
	170	H	H14S	TMCL2	1	1
	9.07	2.46	40.77
	171	H	H14T	TMCL2	1	1
	8.19	3.75	40.26
	172	C	CD3	TMCL2	1	1
	2.02	9.25	51.05
	173	H	H3X	TMCL2	1	1
	1.74	9.97	50.24
	174	H	H3Y	TMCL2	1	1
	1.11	8.68	51.33
	175	C	CD4	TMCL2	1	1
	3.12	8.37	50.54
	176	H	H4X	TMCL2	1	1
	2.72	7.62	49.82
	177	H	H4Y	TMCL2	1	1
	3.55	7.79	51.38
	178	C	CD5	TMCL2	1	1
	4.18	9.21	49.86
	179	H	H5X	TMCL2	1	1
	5	9.53	50.54
	180	H	H5Y	TMCL2	1	1
	3.73	10.16	49.46
	181	C	CD6	TMCL2	1	1
	4.76	8.37	48.76
	182	H	H6X	TMCL2	1	1
	5.34	7.5	49.1
	183	H	H6Y	TMCL2	1	1
	5.46	9.04	48.36
	184	C	CD7	TMCL2	1	1
	4.02	8.33	47.42
	185	H	H7X	TMCL2	1	1
	4.08	9.38	47
	186	H	H7Y	TMCL2	1	1
	2.98	8.1	47.66
	187	C	CD8	TMCL2	1	1
	4.58	7.28	46.44
	188	H	H8X	TMCL2	1	1
	4.7	6.31	46.94
	189	H	H8Y	TMCL2	1	1
	5.6	7.3	46.13
	190	C	CD9	TMCL2	1	1
	3.86	7.24	45.12
	191	H	H9X	TMCL2	1	1
	2.81	7.34	45.43
	192	H	H9Y	TMCL2	1	1
	4.1	6.25	44.68
	193	C	CD10	TMCL2	1	1
	4.13	8.23	43.99
	194	H	H10X	TMCL2	1	1
	5.13	8.65	43.78
	195	H	H10Y	TMCL2	1	1
	3.57	9.16	44.11
	196	C	CD11	TMCL2	1	1
	3.81	7.5	42.71
	197	H	H11X	TMCL2	1	1
	2.75	7.28	42.57
	198	H	H11Y	TMCL2	1	1
	4.42	6.56	42.62
	199	C	CD12	TMCL2	1	1
	4.21	8.42	41.67
	200	H	H12X	TMCL2	1	1
	5.3	8.26	41.64
	201	H	H12Y	TMCL2	1	1
	3.85	9.45	41.71
	202	C	CD13	TMCL2	1	1
	3.88	8.06	40.42
	203	H	H13X	TMCL2	1	1
	3.9	8.9	39.68
	204	H	H13Y	TMCL2	1	1
	2.81	7.64	40.47
	205	C	CD14	TMCL2	1	1
	5.03	7.11	40.1
	206	H	H14X	TMCL2	1	1
	4.87	6.21	40.73
	207	H	H14Y	TMCL2	1	1
	5.86	7.05	39.39
	208	H	H14Z	TMCL2	1	1
	4.87	7.01	39.03

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

_cell.entry_id	TMCL2
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

