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data_MEPEACL
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
_cell_length_a                   10.925(3)
_cell_length_b                   12.736(2)
_cell_length_c                   12.453(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.413(9)
_cell_angle_gamma                90
_cell_volume                     1714.07
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl1 Cl 0.47936(5) 0.62441(4) 0.62051(5)
Cl2 Cl 0.79896(6) 0.13104(4) 0.67234(4)
Cl3 Cl 0.71040(8) 0.84755(5) 0.42646(5)
N1 N 0.47140(18) 0.85047(14) 0.70415(14)
H1N H 0.4756 0.7822 0.6783
N2 N 0.72442(17) 0.75474(14) 0.65708(15)
H21N H 0.7191 0.7752 0.5857
H22N H 0.6617 0.7076 0.6619
N3 N 0.76246(17) 0.24462(14) 0.45330(15)
H31N H 0.7538 0.2161 0.5196
H32N H 0.6973 0.2898 0.4337
C1 C 0.5877(2) 0.90710(17) 0.68544(18)
H1A H 0.5904 0.9760 0.7226
H1B H 0.5836 0.9207 0.6067
C2 C 0.7063(2) 0.84860(17) 0.72483(17)
H2C H 0.7772 0.8969 0.7243
H2D H 0.7053 0.8258 0.8007
C3 C 0.8462(2) 0.70113(18) 0.69032(19)
H3C H 0.8581 0.6884 0.7696
H3D H 0.9140 0.7474 0.6740
C4 C 0.8519(2) 0.59794(18) 0.63142(18)
C5 C 0.8197(2) 0.59014(18) 0.51978(19)
H5 H 0.7914 0.6508 0.4791
C6 C 0.8280(2) 0.49546(18) 0.46668(18)
H6 H 0.8043 0.4914 0.3903
C7 C 0.8711(2) 0.40636(17) 0.52465(18)
C8 C 0.9027(2) 0.41379(18) 0.63608(18)
H8 H 0.9318 0.3533 0.6767
C9 C 0.8924(2) 0.50841(18) 0.68929(18)
H9 H 0.9133 0.5119 0.7660
C10 C 0.8816(2) 0.30512(17) 0.46346(18)
H10A H 0.9018 0.3210 0.3902
H10B H 0.9495 0.2620 0.5023
C11 C 0.7578(2) 0.15858(17) 0.37081(18)
H11A H 0.8286 0.1105 0.3915
H11B H 0.7664 0.1895 0.2993
C12 C 0.3613(2) 0.90344(18) 0.6391(2)
H12A H 0.3807 0.9176 0.5652
H12B H 0.3481 0.9720 0.6732
C13 C 0.4589(2) 0.84450(19) 0.82262(18)
H13A H 0.4556 0.9157 0.8520
H13B H 0.5302 0.8071 0.8618
H13C H 0.3828 0.8068 0.8313
N1 N 0.52860(18) 0.14953(14) 0.29585(14)
H1N H 0.5244 0.2178 0.3217
N2 N 0.27558(17) 0.24526(14) 0.34292(15)
H21N H 0.2809 0.2248 0.4143
H22N H 0.3383 0.2924 0.3381
N3 N 0.23754(17) 0.75538(14) 0.54670(15)
H31N H 0.2462 0.7839 0.4804
H32N H 0.3027 0.7102 0.5663
C1 C 0.4123(2) 0.09290(17) 0.31456(18)
H1A H 0.4096 0.0240 0.2774
H1B H 0.4164 0.0793 0.3933
C2 C 0.2937(2) 0.15140(17) 0.27517(17)
H2C H 0.2228 0.1031 0.2757
H2D H 0.2947 0.1742 0.1993
C3 C 0.1538(2) 0.29887(18) 0.30968(19)
H3C H 0.1419 0.3116 0.2304
H3D H 0.0860 0.2526 0.3260
C4 C 0.1481(2) 0.40206(18) 0.36858(18)
C5 C 0.1803(2) 0.40986(18) 0.48022(19)
H5 H 0.2086 0.3492 0.5209
C6 C 0.1720(2) 0.50454(18) 0.53332(18)
H6 H 0.1957 0.5086 0.6097
C7 C 0.1289(2) 0.59364(17) 0.47535(18)
C8 C 0.0973(2) 0.58621(18) 0.36392(18)
H8 H 0.0682 0.6467 0.3233
C9 C 0.1076(2) 0.49159(18) 0.31071(18)
H9 H 0.0867 0.4881 0.2340
C10 C 0.1184(2) 0.69488(17) 0.53654(18)
H10A H 0.0982 0.6790 0.6098
H10B H 0.0505 0.7380 0.4977
C11 C 0.2422(2) 0.84142(17) 0.62919(18)
H11A H 0.1714 0.8895 0.6085
H11B H 0.2336 0.8105 0.7007
C12 C 0.6387(2) 0.09656(18) 0.3609(2)
H12A H 0.6193 0.0824 0.4348
H12B H 0.6519 0.0280 0.3268
C13 C 0.5411(2) 0.15550(19) 0.17738(18)
H13A H 0.5444 0.0843 0.1480
H13B H 0.4698 0.1929 0.1382
H13C H 0.6172 0.1932 0.1687
O1 O 0.9414(2) -0.07260(18) 0.5879(2)
H1W H 0.905(3) -0.097(3) 0.522(2)
H2W H 0.908(3) -0.0099(18) 0.600(3)
O2 O 0.4610(12) 0.8722(9) 0.4384(10)

#END