#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2011823.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2011823
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  289
_journal_page_last  290
_publ_section_title
;
Bis[2,2'-ethylenedioxydibenzaldehyde bis(thiocarbohydrazide)] tripyridine
;
loop_
_publ_author_name
  'Chantrapromma, Suchada'
  'Razak, Ibrahim Abdul'
  'Fun, Hoong-Kun'
  'Karalai, Chatchanok'
  'Zhang, Hao'
  'Xie, Fu-Xin'
  'Tian, Yu-Peng'
  'Ma, Wen'
  'Zhang, Yin-Han'
  'Ni, Shi-Sheng'
_chemical_formula_moiety  'C34 H32 N8 O4 S2, 3C5 H5 N'
_chemical_formula_sum  'C49 H47 N11 O4 S2'
_chemical_formula_weight  918.10
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  12.1752(2)
_cell_length_b  22.20290(10)
_cell_length_c  19.8479(4)
_cell_angle_alpha  90
_cell_angle_beta  117.1680(10)
_cell_angle_gamma  90
_cell_volume  4773.42(13)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.278
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  S1  .04919(7)  .67961(4)  .17047(4)  .0621(2) Uani d . 1 . . S
  S2  .38483(9)  .58139(4)  .14943(5)  .0730(3) Uani d . 1 . . S
  O1  -.0180(2)  .43136(10)  .36967(13)  .0728(6) Uani d . 1 . . O
  O2  .01687(18)  .39170(10)  .24825(12)  .0658(6) Uani d . 1 . . O
  O3  .7069(3)  .70860(14)  .52167(18)  .1176(11) Uani d D 1 . . O
  O4A  .5806(7)  .7983(6)  .4807(5)  .097(3) Uani d PD  .44 A 1 O
  O4B  .5355(6)  .8100(5)  .4816(3)  .097(3) Uani d PD  .56 A 2 O
  N1  .0782(2)  .60680(11)  .28071(13)  .0532(6) Uani d . 1 . . N
  H1A  .0177  .5870  .2465  .064 Uiso calc R 1 . . H
  N2  .1309(2)  .58616(11)  .35436(13)  .0533(6) Uani d . 1 . . N
  N3  .2141(2)  .68502(10)  .31799(13)  .0519(6) Uani d . 1 . . N
  H3A  .2409  .6722  .3637  .062 Uiso calc R 1 . . H
  N4  .2681(2)  .73424(11)  .30285(13)  .0505(6) Uani d . 1 A . N
  N5  .2240(2)  .50083(11)  .19091(13)  .0509(6) Uani d . 1 . . N
  N6  .3069(2)  .53812(11)  .24661(13)  .0527(6) Uani d . 1 . . N
  H6A  .3119  .5375  .2913  .063 Uiso calc R 1 . . H
  N7  .4556(2)  .60969(11)  .29171(13)  .0567(6) Uani d . 1 . . N
  H7A  .4979  .6382  .2855  .068 Uiso calc R 1 . . H
  N8  .4655(2)  .59938(11)  .36251(13)  .0520(6) Uani d . 1 . . N
  C1  .1186(2)  .65706(13)  .26042(15)  .0460(6) Uani d . 1 . . C
  C2  .0815(3)  .53824(14)  .36357(17)  .0548(7) Uani d . 1 . . C
  H2B  .0166  .5212  .3213  .066 Uiso calc R 1 . . H
  C3  .1212(3)  .50868(14)  .43656(17)  .0547(7) Uani d . 1 . . C
  C4  .2079(3)  .53332(17)  .50498(19)  .0728(9) Uani d . 1 . . C
  H4B  .2430  .5706  .5053  .087 Uiso calc R 1 . . H
  C5  .2419(4)  .5028(2)  .5721(2)  .0859(11) Uani d . 1 . . C
  H5B  .2988  .5198  .6175  .103 Uiso calc R 1 . . H
  C6  .1917(4)  .4473(2)  .5720(2)  .0848(11) Uani d . 1 . . C
  H6B  .2160  .4266  .6174  .102 Uiso calc R 1 . . H
  C7  .1059(3)  .42210(17)  .5054(2)  .0775(10) Uani d . 1 . . C
  H7B  .0717  .3847  .5058  .093 Uiso calc R 1 . . H
  C8  .0706(3)  .45245(15)  .43812(18)  .0593(8) Uani d . 1 . . C
  C9  -.0163(3)  .36919(15)  .3533(2)  .0730(10) Uani d . 1 . . C
  H9A  -.0662  .3466  .3710  .088 Uiso calc R 1 . . H
  H9B  .0676  .3539  .3787  .088 Uiso calc R 1 . . H
  C10  -.0664(3)  .36210(15)  .27001(19)  .0682(9) Uani d . 1 . . C
  H10A  -.0729  .3197  .2567  .082 Uiso calc R 1 . . H
  H10B  -.1478  .3801  .2442  .082 Uiso calc R 1 . . H
  C11  -.0108(3)  .39220(13)  .17310(17)  .0533(7) Uani d . 1 . . C
  C12  -.1066(3)  .35894(14)  .1176(2)  .0648(9) Uani d . 1 . . C
  H12A  -.1571  .3352  .1305  .078 Uiso calc R 1 . . H
  C13  -.1262(3)  .36126(16)  .0441(2)  .0763(10) Uani d . 1 . . C
  H13A  -.1911  .3395  .0073  .092 Uiso calc R 1 . . H
  C14  -.0522(3)  .39498(17)  .0234(2)  .0768(10) Uani d . 1 . . C
  H14A  -.0648  .3950  -.0265  .092 Uiso calc R 1 . . H
  C15  .0419(3)  .42911(15)  .07811(17)  .0640(8) Uani d . 1 . . C
  H15A  .0920  .4525  .0644  .077 Uiso calc R 1 . . H
  C16  .0625(2)  .42887(12)  .15315(16)  .0487(7) Uani d . 1 . . C
  C17  .1554(2)  .46877(12)  .20940(16)  .0481(7) Uani d . 1 . . C
  H17A  .1640  .4706  .2584  .058 Uiso calc R 1 . . H
  C18  .3800(3)  .57547(13)  .23124(16)  .0500(7) Uani d . 1 . . C
  C19  .5452(3)  .63225(14)  .41509(16)  .0563(8) Uani d . 1 . . C
  H19A  .5875  .6613  .4023  .068 Uiso calc R 1 . . H
  C20  .5720(3)  .62590(17)  .49349(18)  .0644(9) Uani d . 1 . . C
  C21  .5175(4)  .5820(2)  .5174(2)  .1002(11) Uani d . 1 . . C
  H21A  .4610  .5559  .4819  .120 Uiso calc R 1 . . H
  C22  .5449(4)  .5756(2)  .5937(3)  .1068(15) Uani d . 1 . . C
  H22A  .5082  .5453  .6089  .128 Uiso calc R 1 A . H
  C23  .6269(4)  .6150(3)  .6454(2)  .1002(11) Uani d . 1 . . C
  H23A  .6449  .6115  .6961  .120 Uiso calc R 1 . . H
  C24  .6819(3)  .6585(2)  .6244(2)  .1011(11) Uani d . 1 . . C
  H24A  .7385  .6840  .6609  .121 Uiso calc R 1 A . H
  C25  .6549(3)  .6660(2)  .5481(2)  .1011(11) Uani d D 1 . . C
  C26A  .7342(9)  .7540(3)  .5787(4)  .092(2) Uani d PD  .44 A 1 C
  H26A  .8189  .7523  .6181  .110 Uiso calc PR  .44 A 1 H
  H26B  .6779  .7532  .6009  .110 Uiso calc PR  .44 A 1 H
  C27A  .7115(8)  .8045(5)  .5273(5)  .092(2) Uani d PD  .44 A 1 C
  H27A  .7323  .8426  .5541  .110 Uiso calc PR  .44 A 1 H
  H27B  .7567  .8004  .4980  .110 Uiso calc PR  .44 A 1 H
  C26B  .7447(7)  .7705(3)  .5477(5)  .0931(18) Uani d PD  .56 A 2 C
  H26C  .8150  .7690  .5976  .112 Uiso calc PR  .56 A 2 H
  H26D  .7720  .7895  .5139  .112 Uiso calc PR  .56 A 2 H
  C27B  .6494(6)  .8085(3)  .5517(4)  .0931(18) Uani d PD  .56 A 2 C
  H27C  .6320  .7937  .5918  .112 Uiso calc PR  .56 A 2 H
  H27D  .6809  .8492  .5648  .112 Uiso calc PR  .56 A 2 H
  C28  .5314(3)  .83009(15)  .41413(19)  .0717(9) Uani d D 1 . . C
  C29  .5997(4)  .87649(18)  .4058(3)  .0921(13) Uani d . 1 A . C
  H29A  .6679  .8913  .4480  .111 Uiso calc R 1 . . H
  C30  .5680(4)  .90064(19)  .3365(3)  .0947(14) Uani d . 1 . . C
  H30A  .6148  .9318  .3316  .114 Uiso calc R 1 A . H
  C31  .4671(4)  .87926(19)  .2734(3)  .0898(12) Uani d . 1 A . C
  H31A  .4457  .8959  .2260  .108 Uiso calc R 1 . . H
  C32  .3980(3)  .83291(15)  .28104(19)  .0663(9) Uani d . 1 . . C
  H32A  .3293  .8188  .2385  .080 Uiso calc R 1 A . H
  C33  .4291(3)  .80737(13)  .35059(17)  .0506(7) Uani d . 1 A . C
  C34  .3612(3)  .75629(13)  .35959(16)  .0514(7) Uani d . 1 . . C
  H34A  .3863  .7396  .4074  .062 Uiso calc R 1 A . H
  N9  .8541(2)  .54179(12)  .16849(15)  .0652(7) Uani d . 1 . . N
  C35  .7659(4)  .51624(18)  .1801(2)  .0834(11) Uani d . 1 . . C
  H35A  .7690  .5199  .2276  .100 Uiso calc R 1 . . H
  C36  .6686(4)  .4840(2)  .1242(3)  .1008(14) Uani d . 1 . . C
  H36A  .6072  .4671  .1337  .121 Uiso calc R 1 . . H
  C37  .6665(4)  .4781(2)  .0549(3)  .0974(14) Uani d . 1 . . C
  H37A  .6037  .4562  .0167  .117 Uiso calc R 1 . . H
  C38  .7556(4)  .50391(16)  .0422(2)  .0792(11) Uani d . 1 . . C
  H38A  .7553  .5005  -.0046  .095 Uiso calc R 1 . . H
  C39  .8458(3)  .53512(15)  .0999(2)  .0680(9) Uani d . 1 . . C
  H39A  .9064  .5532  .0905  .082 Uiso calc R 1 . . H
  N10  .2669(3)  .69707(14)  .48367(16)  .0742(8) Uani d . 1 . . N
  C40  .3624(4)  .71843(18)  .5426(2)  .0803(11) Uani d . 1 . . C
  H40A  .4392  .7155  .5435  .096 Uiso calc R 1 . . H
  C41  .3565(4)  .74533(19)  .6041(2)  .0882(12) Uani d . 1 . . C
  H41A  .4278  .7598  .6445  .106 Uiso calc R 1 . . H
  C42  .2473(5)  .7501(2)  .6045(2)  .0892(12) Uani d . 1 . . C
  H42A  .2407  .7681  .6448  .107 Uiso calc R 1 . . H
  C43  .1442(4)  .72752(18)  .5428(3)  .0891(12) Uani d . 1 . . C
  H43A  .0666  .7300  .5409  .107 Uiso calc R 1 . . H
  C44  .1583(4)  .70119(17)  .4842(2)  .0802(10) Uani d . 1 . . C
  H44A  .0889  .6857  .4433  .096 Uiso calc R 1 . . H
  N11  .6473(2)  .69264(13)  .28693(16)  .0697(8) Uani d . 1 . . N
  C45  .7047(4)  .74042(18)  .3280(2)  .0863(12) Uani d . 1 . . C
  H45A  .6680  .7609  .3534  .104 Uiso calc R 1 . . H
  C46  .8160(4)  .76124(19)  .3349(2)  .0896(12) Uani d . 1 . . C
  H46A  .8537  .7949  .3644  .108 Uiso calc R 1 . . H
  C47  .8693(3)  .7315(2)  .2978(2)  .0830(11) Uani d . 1 . . C
  H47A  .9449  .7441  .3018  .100 Uiso calc R 1 . . H
  C48  .8110(3)  .68309(18)  .2547(2)  .0727(10) Uani d . 1 . . C
  H48A  .8452  .6624  .2281  .087 Uiso calc R 1 . . H
  C49  .7014(3)  .66525(16)  .25110(18)  .0651(9) Uani d . 1 . . C
  H49A  .6625  .6318  .2216  .078 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  S1  .0543(4)  .0684(5)  .0546(4)  -.0071(4)  .0171(4)  .0092(4)
  S2  .0896(6)  .0779(6)  .0559(5)  -.0260(5)  .0371(5)  -.0124(4)
  O1  .0793(15)  .0570(15)  .0708(15)  -.0063(12)  .0245(13)  .0026(12)
  O2  .0535(12)  .0740(15)  .0630(13)  -.0230(11)  .0207(10)  -.0023(11)
  O3  .0799(19)  .129(3)  .129(2)  -.0426(18)  .0346(18)  -.073(2)
  O4A  .087(5)  .079(4)  .0673(18)  -.003(4)  -.016(3)  -.0028(19)
  O4B  .087(5)  .079(4)  .0673(18)  -.003(4)  -.016(3)  -.0028(19)
  N1  .0459(13)  .0503(15)  .0543(14)  -.0067(11)  .0149(11)  .0054(12)
  N2  .0492(14)  .0526(15)  .0531(14)  -.0009(12)  .0190(11)  .0060(12)
  N3  .0501(13)  .0498(15)  .0510(13)  -.0058(11)  .0189(11)  .0063(11)
  N4  .0455(13)  .0468(14)  .0571(14)  -.0038(11)  .0216(12)  .0010(12)
  N5  .0450(13)  .0482(14)  .0532(14)  -.0077(11)  .0171(11)  -.0101(11)
  N6  .0508(14)  .0569(15)  .0488(13)  -.0154(12)  .0213(11)  -.0098(12)
  N7  .0621(15)  .0569(16)  .0553(15)  -.0216(12)  .0303(12)  -.0125(12)
  N8  .0509(14)  .0565(15)  .0502(14)  -.0094(12)  .0245(12)  -.0103(12)
  C1  .0372(14)  .0451(16)  .0557(17)  .0023(12)  .0211(13)  .0024(13)
  C2  .0500(17)  .0523(19)  .0585(18)  -.0045(14)  .0216(14)  .0037(15)
  C3  .0504(17)  .0553(19)  .0582(18)  .0024(14)  .0245(15)  .0052(15)
  C4  .069(2)  .072(2)  .066(2)  -.0048(18)  .0211(18)  .0029(19)
  C5  .087(3)  .100(3)  .055(2)  .000(2)  .0179(19)  .003(2)
  C6  .095(3)  .098(3)  .064(2)  .013(2)  .038(2)  .028(2)
  C7  .087(3)  .076(3)  .076(2)  -.003(2)  .042(2)  .018(2)
  C8  .0583(19)  .060(2)  .064(2)  .0051(16)  .0310(16)  .0096(16)
  C9  .088(2)  .048(2)  .086(3)  -.0155(17)  .042(2)  .0104(18)
  C10  .070(2)  .0492(19)  .082(2)  -.0197(16)  .0325(18)  -.0020(17)
  C11  .0470(16)  .0446(17)  .0592(19)  .0000(13)  .0165(14)  -.0050(14)
  C12  .0521(18)  .0489(19)  .079(2)  -.0098(15)  .0177(16)  -.0113(17)
  C13  .072(2)  .063(2)  .073(2)  -.0147(18)  .0150(19)  -.0279(19)
  C14  .078(2)  .078(3)  .062(2)  -.008(2)  .0219(19)  -.0232(19)
  C15  .063(2)  .065(2)  .059(2)  -.0064(16)  .0241(16)  -.0103(16)
  C16  .0394(14)  .0426(16)  .0573(17)  -.0002(12)  .0161(13)  -.0069(13)
  C17  .0421(15)  .0474(17)  .0526(16)  -.0009(13)  .0197(13)  -.0052(13)
  C18  .0485(16)  .0462(17)  .0531(17)  -.0058(13)  .0213(13)  -.0067(14)
  C19  .0501(17)  .062(2)  .0596(19)  -.0103(15)  .0273(15)  -.0141(16)
  C20  .0495(17)  .089(3)  .0545(19)  .0024(17)  .0240(15)  -.0120(18)
  C21  .084(2)  .153(3)  .0590(16)  .036(2)  .0285(15)  .0072(19)
  C22  .103(3)  .139(4)  .090(3)  .032(3)  .054(3)  .025(3)
  C23  .084(2)  .153(3)  .0590(16)  .036(2)  .0285(15)  .0072(19)
  C24  .0541(15)  .160(3)  .0641(15)  .0115(18)  .0051(13)  -.043(2)
  C25  .0541(15)  .160(3)  .0641(15)  .0115(18)  .0051(13)  -.043(2)
  C26A  .074(4)  .089(5)  .070(5)  -.038(4)  -.004(3)  -.017(4)
  C27A  .074(4)  .089(5)  .070(5)  -.038(4)  -.004(3)  -.017(4)
  C26B  .092(4)  .083(4)  .076(4)  -.035(3)  .014(3)  -.025(3)
  C27B  .092(4)  .083(4)  .076(4)  -.035(3)  .014(3)  -.025(3)
  C28  .066(2)  .055(2)  .078(2)  -.0124(17)  .0193(18)  -.0151(18)
  C29  .072(2)  .066(3)  .121(4)  -.019(2)  .029(2)  -.030(3)
  C30  .092(3)  .063(3)  .155(4)  -.028(2)  .078(3)  -.028(3)
  C31  .110(3)  .081(3)  .103(3)  -.019(2)  .070(3)  .001(2)
  C32  .068(2)  .069(2)  .068(2)  -.0140(17)  .0366(17)  -.0064(18)
  C33  .0470(16)  .0460(17)  .0605(18)  -.0023(13)  .0260(14)  -.0089(14)
  C34  .0494(16)  .0523(18)  .0490(16)  .0008(14)  .0192(14)  .0003(14)
  N9  .0627(17)  .0598(17)  .0654(18)  -.0071(13)  .0227(14)  -.0041(14)
  C35  .085(3)  .081(3)  .089(3)  -.003(2)  .043(2)  -.006(2)
  C36  .068(3)  .090(3)  .140(4)  -.021(2)  .044(3)  -.004(3)
  C37  .076(3)  .081(3)  .094(3)  -.001(2)  .003(2)  -.012(3)
  C38  .089(3)  .059(2)  .068(2)  .014(2)  .017(2)  .0007(18)
  C39  .071(2)  .054(2)  .070(2)  .0071(17)  .0242(18)  .0055(17)
  N10  .079(2)  .080(2)  .0663(18)  .0029(16)  .0360(17)  -.0070(16)
  C40  .075(2)  .101(3)  .064(2)  .020(2)  .031(2)  .000(2)
  C41  .099(3)  .095(3)  .055(2)  .017(2)  .021(2)  .002(2)
  C42  .120(4)  .093(3)  .073(3)  .038(3)  .061(3)  .022(2)
  C43  .102(3)  .081(3)  .114(3)  .022(2)  .075(3)  .034(3)
  C44  .089(3)  .071(3)  .086(3)  -.004(2)  .045(2)  .006(2)
  N11  .0665(17)  .072(2)  .0841(19)  -.0186(15)  .0462(16)  -.0158(16)
  C45  .095(3)  .080(3)  .110(3)  -.017(2)  .070(3)  -.030(2)
  C46  .092(3)  .076(3)  .106(3)  -.032(2)  .050(3)  -.022(2)
  C47  .054(2)  .102(3)  .095(3)  -.013(2)  .035(2)  .008(2)
  C48  .059(2)  .086(3)  .078(2)  .0127(19)  .0357(18)  .006(2)
  C49  .073(2)  .063(2)  .063(2)  -.0028(17)  .0347(18)  -.0010(16)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  S1 C1 . 1.666(3) yes
  S2 C18 . 1.657(3) yes
  O1 C8 . 1.375(4) ?
  O1 C9 . 1.420(4) ?
  O2 C11 . 1.371(3) ?
  O2 C10 . 1.430(3) ?
  O3 C25 . 1.370(4) ?
  O3 C26A . 1.437(5) ?
  O3 C26B . 1.467(4) ?
  O4A C28 . 1.371(5) ?
  O4A C27A . 1.438(5) ?
  O4B C28 . 1.390(5) ?
  O4B C27B . 1.448(4) ?
  N1 C1 . 1.352(3) ?
  N1 N2 . 1.379(3) ?
  N1 H1A .  .8600 ?
  N2 C2 . 1.276(4) ?
  N3 C1 . 1.353(3) ?
  N3 N4 . 1.377(3) ?
  N3 H3A .  .8600 ?
  N4 C34 . 1.276(3) ?
  N5 C17 . 1.273(3) ?
  N5 N6 . 1.381(3) ?
  N6 C18 . 1.350(3) ?
  N6 H6A .  .8600 ?
  N7 C18 . 1.362(3) ?
  N7 N8 . 1.374(3) ?
  N7 H7A .  .8600 ?
  N8 C19 . 1.280(3) ?
  C2 C3 . 1.457(4) ?
  C2 H2B .  .9300 ?
  C3 C4 . 1.396(4) ?
  C3 C8 . 1.399(4) ?
  C4 C5 . 1.378(5) ?
  C4 H4B .  .9300 ?
  C5 C6 . 1.376(5) ?
  C5 H5B .  .9300 ?
  C6 C7 . 1.375(5) ?
  C6 H6B .  .9300 ?
  C7 C8 . 1.378(4) ?
  C7 H7B .  .9300 ?
  C9 C10 . 1.486(5) ?
  C9 H9A .  .9700 ?
  C9 H9B .  .9700 ?
  C10 H10A .  .9700 ?
  C10 H10B .  .9700 ?
  C11 C16 . 1.393(4) ?
  C11 C12 . 1.396(4) ?
  C12 C13 . 1.368(5) ?
  C12 H12A .  .9300 ?
  C13 C14 . 1.370(5) ?
  C13 H13A .  .9300 ?
  C14 C15 . 1.390(4) ?
  C14 H14A .  .9300 ?
  C15 C16 . 1.393(4) ?
  C15 H15A .  .9300 ?
  C16 C17 . 1.468(4) ?
  C17 H17A .  .9300 ?
  C19 C20 . 1.444(4) ?
  C19 H19A .  .9300 ?
  C20 C21 . 1.379(6) ?
  C20 C25 . 1.409(5) ?
  C21 C22 . 1.401(5) ?
  C21 H21A .  .9300 ?
  C22 C23 . 1.370(6) ?
  C22 H22A .  .9300 ?
  C23 C24 . 1.346(6) ?
  C23 H23A .  .9300 ?
  C24 C25 . 1.406(5) ?
  C24 H24A .  .9300 ?
  C26A C27A . 1.453(5) ?
  C26A H26A .  .9700 ?
  C26A H26B .  .9700 ?
  C27A H27A .  .9700 ?
  C27A H27B .  .9700 ?
  C26B C27B . 1.466(5) ?
  C26B H26C .  .9700 ?
  C26B H26D .  .9700 ?
  C27B H27C .  .9700 ?
  C27B H27D .  .9700 ?
  C28 C29 . 1.380(5) ?
  C28 C33 . 1.401(4) ?
  C29 C30 . 1.359(6) ?
  C29 H29A .  .9300 ?
  C30 C31 . 1.377(6) ?
  C30 H30A .  .9300 ?
  C31 C32 . 1.381(5) ?
  C31 H31A .  .9300 ?
  C32 C33 . 1.376(4) ?
  C32 H32A .  .9300 ?
  C33 C34 . 1.461(4) ?
  C34 H34A .  .9300 ?
  N9 C35 . 1.324(4) ?
  N9 C39 . 1.327(4) ?
  C35 C36 . 1.395(5) ?
  C35 H35A .  .9300 ?
  C36 C37 . 1.370(6) ?
  C36 H36A .  .9300 ?
  C37 C38 . 1.349(6) ?
  C37 H37A .  .9300 ?
  C38 C39 . 1.360(5) ?
  C38 H38A .  .9300 ?
  C39 H39A .  .9300 ?
  N10 C40 . 1.305(4) ?
  N10 C44 . 1.330(4) ?
  C40 C41 . 1.390(5) ?
  C40 H40A .  .9300 ?
  C41 C42 . 1.338(5) ?
  C41 H41A .  .9300 ?
  C42 C43 . 1.387(6) ?
  C42 H42A .  .9300 ?
  C43 C44 . 1.382(5) ?
  C43 H43A .  .9300 ?
  C44 H44A .  .9300 ?
  N11 C49 . 1.318(4) ?
  N11 C45 . 1.326(4) ?
  C45 C46 . 1.379(5) ?
  C45 H45A .  .9300 ?
  C46 C47 . 1.356(5) ?
  C46 H46A .  .9300 ?
  C47 C48 . 1.354(5) ?
  C47 H47A .  .9300 ?
  C48 C49 . 1.362(4) ?
  C48 H48A .  .9300 ?
  C49 H49A .  .9300 ?