#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:16:23 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178500 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/20/4062013.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_4062013
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C36 H38 N3 O2.5'
_chemical_formula_weight         552.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.002(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.9302(11)
_cell_length_b                   25.491(2)
_cell_length_c                   21.9214(18)
_cell_measurement_temperature    133(2)
_cell_volume                     6092.8(10)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.205
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (86 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062013
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'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2098(2) 0.56921(8) 0.66744(10) 0.0321(5) Uani 1 1 d DU . .
C2 C 0.31166(19) 0.58406(8) 0.71051(10) 0.0327(5) Uani 1 1 d DU . .
C3 C 0.3296(2) 0.57234(9) 0.77238(10) 0.0421(6) Uani 1 1 d DU . .
H3 H 0.2704 0.5527 0.7924 0.051 Uiso 1 1 calc R . .
C4 C 0.4347(2) 0.58973(10) 0.80386(11) 0.0454(6) Uani 1 1 d DU . .
H4 H 0.4481 0.5829 0.8464 0.054 Uiso 1 1 calc R . .
C5 C 0.5220(2) 0.61752(9) 0.77334(11) 0.0424(6) Uani 1 1 d DU . .
H5 H 0.5950 0.6287 0.7956 0.051 Uiso 1 1 calc R . .
C6 C 0.5056(2) 0.62926(8) 0.71193(10) 0.0350(5) Uani 1 1 d DU . .
H6 H 0.5665 0.6480 0.6920 0.042 Uiso 1 1 calc R . .
C7 C 0.39767(19) 0.61306(8) 0.67967(9) 0.0303(5) Uani 1 1 d DU . .
C8 C 0.34836(18) 0.61966(8) 0.61628(9) 0.0285(5) Uani 1 1 d DU . .
C11 C 0.15671(19) 0.58111(8) 0.55770(10) 0.0324(5) Uani 1 1 d DU . .
C12 C 0.0487(2) 0.60979(9) 0.54668(11) 0.0424(6) Uani 1 1 d DU . .
C13 C -0.0239(2) 0.59853(12) 0.49362(13) 0.0587(8) Uani 1 1 d DU . .
H13 H -0.0984 0.6171 0.4850 0.070 Uiso 1 1 calc R . .
C14 C 0.0113(3) 0.56056(13) 0.45339(13) 0.0653(9) Uani 1 1 d DU . .
H14 H -0.0388 0.5534 0.4172 0.078 Uiso 1 1 calc R . .
C15 C 0.1182(3) 0.53310(11) 0.46533(11) 0.0540(7) Uani 1 1 d DU . .
H15 H 0.1413 0.5074 0.4370 0.065 Uiso 1 1 calc R . .
C16 C 0.1935(2) 0.54209(9) 0.51813(10) 0.0394(6) Uani 1 1 d DU . .
C17 C 0.0131(2) 0.65217(10) 0.58946(13) 0.0573(8) Uani 1 1 d DU . .
H17A H 0.0656 0.6829 0.5850 0.069 Uiso 1 1 calc R . .
H17B H 0.0231 0.6394 0.6317 0.069 Uiso 1 1 calc R . .
H17C H -0.0727 0.6620 0.5797 0.069 Uiso 1 1 calc R . .
C18 C 0.3076(2) 0.51059(10) 0.53278(12) 0.0519(7) Uani 1 1 d DU . .
H18A H 0.3786 0.5341 0.5366 0.062 Uiso 1 1 calc R . .
H18B H 0.3180 0.4852 0.4999 0.062 Uiso 1 1 calc R . .
H18C H 0.3006 0.4918 0.5714 0.062 Uiso 1 1 calc R . .
C20 C 0.39261(18) 0.64900(8) 0.57110(10) 0.0286(5) Uani 1 1 d DU . .
C21 C 0.3672(2) 0.68743(8) 0.46469(9) 0.0328(5) Uani 1 1 d DU . .
C22 C 0.3053(2) 0.73467(9) 0.45149(10) 0.0347(5) Uani 1 1 d DU . .
C23 C 0.3389(2) 0.76379(9) 0.40156(11) 0.0424(6) Uani 1 1 d DU . .
H23 H 0.3002 0.7965 0.3925 0.051 Uiso 1 1 calc R . .
C24 C 0.4274(2) 0.74577(10) 0.36540(11) 0.0448(6) Uani 1 1 d DU . .
H24 H 0.4511 0.7665 0.3322 0.054 Uiso 1 1 calc R . .
C25 C 0.4823(2) 0.69764(10) 0.37711(10) 0.0423(6) Uani 1 1 d DU . .
H25 H 0.5411 0.6850 0.3507 0.051 Uiso 1 1 calc R . .
C26 C 0.4529(2) 0.66721(9) 0.42693(10) 0.0367(6) Uani 1 1 d DU . .
C27 C 0.2010(2) 0.75208(10) 0.48830(11) 0.0471(6) Uani 1 1 d DU . .
H27A H 0.1743 0.7873 0.4752 0.056 Uiso 1 1 calc R . .
H27B H 0.2285 0.7528 0.5318 0.056 Uiso 1 1 calc R . .
H27C H 0.1323 0.7275 0.4818 0.056 Uiso 1 1 calc R . .
C28 C 0.5076(2) 0.61344(10) 0.43621(12) 0.0550(7) Uani 1 1 d DU . .
H28A H 0.5671 0.6071 0.4056 0.066 Uiso 1 1 calc R . .
H28B H 0.4425 0.5870 0.4319 0.066 Uiso 1 1 calc R . .
H28C H 0.5490 0.6111 0.4772 0.066 Uiso 1 1 calc R . .
C30 C 0.52196(19) 0.67068(8) 0.58068(9) 0.0278(5) Uani 1 1 d DU . .
C31 C 0.64921(19) 0.74822(8) 0.60854(10) 0.0318(5) Uani 1 1 d DU . .
C32 C 0.7313(2) 0.75260(8) 0.56252(10) 0.0347(5) Uani 1 1 d DU . .
C33 C 0.8415(2) 0.77920(9) 0.57591(11) 0.0417(6) Uani 1 1 d DU . .
H33 H 0.8983 0.7823 0.5452 0.050 Uiso 1 1 calc R . .
C34 C 0.8698(2) 0.80106(9) 0.63254(12) 0.0484(7) Uani 1 1 d DU . .
H34 H 0.9454 0.8189 0.6409 0.058 Uiso 1 1 calc R . .
C35 C 0.7878(2) 0.79676(9) 0.67684(12) 0.0454(6) Uani 1 1 d DU . .
H35 H 0.8075 0.8121 0.7158 0.055 Uiso 1 1 calc R . .
C36 C 0.6762(2) 0.77056(9) 0.66640(10) 0.0374(6) Uani 1 1 d DU . .
C37 C 0.7021(2) 0.73039(10) 0.49950(10) 0.0460(6) Uani 1 1 d DU . .
H37A H 0.7620 0.7433 0.4718 0.055 Uiso 1 1 calc R . .
H37B H 0.6196 0.7414 0.4844 0.055 Uiso 1 1 calc R . .
H37C H 0.7058 0.6920 0.5013 0.055 Uiso 1 1 calc R . .
C38 C 0.5883(2) 0.76853(10) 0.71596(11) 0.0518(7) Uani 1 1 d DU . .
H38A H 0.6327 0.7752 0.7556 0.062 Uiso 1 1 calc R . .
H38B H 0.5500 0.7338 0.7164 0.062 Uiso 1 1 calc R . .
H38C H 0.5248 0.7953 0.7083 0.062 Uiso 1 1 calc R . .
N1 N 0.23355(15) 0.59194(7) 0.61239(8) 0.0298(4) Uani 1 1 d DU . .
N2 N 0.32994(19) 0.65760(8) 0.51556(9) 0.0470(6) Uani 1 1 d DU . .
H02 H 0.2533(17) 0.6495(11) 0.5120(13) 0.077(10) Uiso 1 1 d D . .
N3 N 0.53275(17) 0.72213(7) 0.59618(8) 0.0301(4) Uani 1 1 d DU . .
H03 H 0.4661(17) 0.7393(9) 0.6018(10) 0.048(8) Uiso 1 1 d D . .
O1 O 0.12001(13) 0.54126(6) 0.67504(7) 0.0414(4) Uani 1 1 d DU . .
O2 O 0.60994(13) 0.64160(6) 0.57591(7) 0.0361(4) Uani 1 1 d DU . .
C1' C 0.1645(2) 0.58012(9) 0.91628(10) 0.0428(6) Uani 1 1 d DU . .
C2' C 0.2270(2) 0.52961(9) 0.91377(10) 0.0385(6) Uani 1 1 d DU . .
C3' C 0.3399(2) 0.51503(11) 0.94196(11) 0.0510(7) Uani 1 1 d DU . .
H3' H 0.3874 0.5390 0.9668 0.061 Uiso 1 1 calc R . .
C4' C 0.3805(2) 0.46476(11) 0.93269(12) 0.0534(7) Uani 1 1 d DU . .
H4' H 0.4574 0.4538 0.9513 0.064 Uiso 1 1 calc R . .
C5' C 0.3100(2) 0.42985(10) 0.89630(11) 0.0461(6) Uani 1 1 d DU . .
H5' H 0.3399 0.3953 0.8905 0.055 Uiso 1 1 calc R . .
C6' C 0.1974(2) 0.44408(9) 0.86834(10) 0.0354(5) Uani 1 1 d DU . .
H6' H 0.1499 0.4197 0.8440 0.042 Uiso 1 1 calc R . .
C7' C 0.15523(19) 0.49511(8) 0.87680(9) 0.0305(5) Uani 1 1 d DU . .
C8' C 0.04563(19) 0.52342(8) 0.85326(9) 0.0293(5) Uani 1 1 d DU . .
C11' C -0.0381(2) 0.61359(9) 0.87769(11) 0.0410(6) Uani 1 1 d DU . .
C12' C -0.0456(2) 0.65153(9) 0.83131(12) 0.0489(7) Uani 1 1 d DU . .
C13' C -0.1444(3) 0.68515(11) 0.82831(15) 0.0677(9) Uani 1 1 d DU . .
H13' H -0.1533 0.7103 0.7963 0.081 Uiso 1 1 calc R . .
C14' C -0.2300(3) 0.68266(12) 0.87104(16) 0.0729(10) Uani 1 1 d DU . .
H14' H -0.2975 0.7062 0.8683 0.087 Uiso 1 1 calc R . .
C15' C -0.2196(3) 0.64629(13) 0.91814(15) 0.0718(9) Uani 1 1 d DU . .
H15' H -0.2791 0.6457 0.9477 0.086 Uiso 1 1 calc R . .
C16' C -0.1221(3) 0.61037(11) 0.92253(12) 0.0536(7) Uani 1 1 d DU . .
C17' C 0.0501(3) 0.65406(11) 0.78511(13) 0.0656(8) Uani 1 1 d DU . .
H17D H 0.0288 0.6819 0.7555 0.079 Uiso 1 1 calc R . .
H17E H 0.0533 0.6204 0.7637 0.079 Uiso 1 1 calc R . .
H17F H 0.1303 0.6615 0.8061 0.079 Uiso 1 1 calc R . .
C18' C -0.1057(3) 0.57046(13) 0.97310(13) 0.0756(9) Uani 1 1 d DU . .
H18D H -0.0968 0.5355 0.9554 0.091 Uiso 1 1 calc R . .
H18E H -0.1775 0.5710 0.9975 0.091 Uiso 1 1 calc R . .
H18F H -0.0320 0.5790 0.9993 0.091 Uiso 1 1 calc R . .
C20' C -0.04348(18) 0.50798(8) 0.81083(9) 0.0271(5) Uani 1 1 d DU . .
C21' C -0.24487(19) 0.52038(8) 0.75287(11) 0.0344(5) Uani 1 1 d DU . .
C22' C -0.2707(2) 0.53517(9) 0.69172(11) 0.0374(6) Uani 1 1 d DU . .
C23' C -0.3790(2) 0.51737(9) 0.66182(12) 0.0459(6) Uani 1 1 d DU . .
H23' H -0.3977 0.5265 0.6202 0.055 Uiso 1 1 calc R . .
C24' C -0.4592(2) 0.48688(10) 0.69153(14) 0.0538(7) Uani 1 1 d DU . .
H24' H -0.5315 0.4741 0.6699 0.065 Uiso 1 1 calc R . .
C25' C -0.4358(2) 0.47458(10) 0.75262(14) 0.0520(7) Uani 1 1 d DU . .
H25' H -0.4935 0.4542 0.7728 0.062 Uiso 1 1 calc R . .
C26' C -0.3283(2) 0.49177(9) 0.78520(12) 0.0417(6) Uani 1 1 d DU . .
C27' C -0.1854(2) 0.57051(9) 0.66040(11) 0.0439(6) Uani 1 1 d DU . .
H27D H -0.1812 0.6046 0.6810 0.053 Uiso 1 1 calc R . .
H27E H -0.2158 0.5753 0.6176 0.053 Uiso 1 1 calc R . .
H27F H -0.1035 0.5548 0.6620 0.053 Uiso 1 1 calc R . .
C28' C -0.3084(2) 0.48355(10) 0.85306(12) 0.0550(7) Uani 1 1 d DU . .
H28D H -0.3828 0.4687 0.8687 0.066 Uiso 1 1 calc R . .
H28E H -0.2896 0.5172 0.8731 0.066 Uiso 1 1 calc R . .
H28F H -0.2397 0.4593 0.8616 0.066 Uiso 1 1 calc R . .
C30' C -0.03959(18) 0.45220(8) 0.78678(9) 0.0273(5) Uani 1 1 d DU . .
C31' C 0.01974(19) 0.40048(8) 0.69883(9) 0.0276(5) Uani 1 1 d DU . .
C32' C -0.0840(2) 0.37057(8) 0.68010(10) 0.0331(5) Uani 1 1 d DU . .
C33' C -0.0652(2) 0.32411(9) 0.64828(10) 0.0404(6) Uani 1 1 d DU . .
H33' H -0.1333 0.3023 0.6366 0.048 Uiso 1 1 calc R . .
C34' C 0.0501(2) 0.30924(9) 0.63343(10) 0.0436(6) Uani 1 1 d DU . .
H34' H 0.0604 0.2780 0.6107 0.052 Uiso 1 1 calc R . .
C35' C 0.1503(2) 0.33953(9) 0.65147(10) 0.0386(6) Uani 1 1 d DU . .
H35' H 0.2295 0.3290 0.6410 0.046 Uiso 1 1 calc R . .
C36' C 0.13742(19) 0.38545(8) 0.68481(9) 0.0312(5) Uani 1 1 d DU . .
C37' C -0.21157(19) 0.38839(9) 0.69088(11) 0.0434(6) Uani 1 1 d DU . .
H37D H -0.2236 0.3870 0.7347 0.052 Uiso 1 1 calc R . .
H37E H -0.2712 0.3654 0.6687 0.052 Uiso 1 1 calc R . .
H37F H -0.2232 0.4245 0.6762 0.052 Uiso 1 1 calc R . .
C38' C 0.24813(19) 0.41812(9) 0.70411(11) 0.0412(6) Uani 1 1 d DU . .
H38D H 0.2443 0.4514 0.6817 0.049 Uiso 1 1 calc R . .
H38E H 0.3227 0.3991 0.6951 0.049 Uiso 1 1 calc R . .
H38F H 0.2494 0.4251 0.7481 0.049 Uiso 1 1 calc R . .
N1' N 0.05767(17) 0.57524(7) 0.87882(8) 0.0345(4) Uani 1 1 d DU . .
N2' N -0.13419(16) 0.53897(7) 0.78364(9) 0.0337(5) Uani 1 1 d DU . .
H02' H -0.1292(19) 0.5712(7) 0.7942(10) 0.037(7) Uiso 1 1 d D . .
N3' N 0.00488(16) 0.44901(7) 0.73063(8) 0.0277(4) Uani 1 1 d DU . .
H03' H 0.0394(17) 0.4765(7) 0.7151(9) 0.027(6) Uiso 1 1 d D . .
O1' O 0.19446(17) 0.62011(7) 0.94500(8) 0.0637(5) Uani 1 1 d DU . .
O2' O -0.07132(13) 0.41417(6) 0.81610(6) 0.0351(4) Uani 1 1 d DU . .
C96 C 0.2328(5) 0.7413(3) 0.1844(3) 0.096(2) Uani 0.683(6) 1 d PDU A 1
H96A H 0.1670 0.7359 0.2119 0.116 Uiso 0.683(6) 1 calc PR A 1
H96B H 0.2070 0.7674 0.1534 0.116 Uiso 0.683(6) 1 calc PR A 1
H96C H 0.3066 0.7537 0.2080 0.116 Uiso 0.683(6) 1 calc PR A 1
C97 C 0.2600(6) 0.6905(3) 0.1538(3) 0.119(2) Uani 0.683(6) 1 d PDU A 1
H97A H 0.2862 0.6641 0.1852 0.143 Uiso 0.683(6) 1 calc PR A 1
H97B H 0.1848 0.6774 0.1310 0.143 Uiso 0.683(6) 1 calc PR A 1
O99 O 0.3510(3) 0.69726(14) 0.11433(17) 0.0594(11) Uani 0.683(6) 1 d PDU A 1
C98 C 0.3684(9) 0.6498(3) 0.0801(5) 0.084(3) Uani 0.683(6) 1 d PDU A 1
H98A H 0.2891 0.6385 0.0597 0.101 Uiso 0.683(6) 1 calc PR A 1
H98B H 0.3986 0.6215 0.1083 0.101 Uiso 0.683(6) 1 calc PR A 1
C99 C 0.4593(4) 0.65923(15) 0.0331(2) 0.0690(17) Uani 0.683(6) 1 d PDU A 1
H99A H 0.4709 0.6268 0.0102 0.083 Uiso 0.683(6) 1 calc PR A 1
H99B H 0.5378 0.6702 0.0535 0.083 Uiso 0.683(6) 1 calc PR A 1
H99C H 0.4285 0.6868 0.0050 0.083 Uiso 0.683(6) 1 calc PR A 1
C96' C 0.3931(18) 0.6503(8) 0.0698(9) 0.048(4) Uiso 0.317(6) 1 d PDU A 2
H96D H 0.3799 0.6147 0.0537 0.058 Uiso 0.317(6) 1 calc PR A 2
H96E H 0.4730 0.6522 0.0929 0.058 Uiso 0.317(6) 1 calc PR A 2
H96F H 0.3910 0.6753 0.0358 0.058 Uiso 0.317(6) 1 calc PR A 2
C97' C 0.2954(13) 0.6634(5) 0.1106(6) 0.092(4) Uiso 0.317(6) 1 d PDU A 2
H97C H 0.2145 0.6613 0.0874 0.111 Uiso 0.317(6) 1 calc PR A 2
H97D H 0.2962 0.6377 0.1444 0.111 Uiso 0.317(6) 1 calc PR A 2
O99' O 0.3130(7) 0.7158(3) 0.1356(3) 0.052(2) Uiso 0.317(6) 1 d PDU A 2
C98' C 0.246(3) 0.7164(9) 0.1933(10) 0.187(10) Uiso 0.317(6) 1 d PDU A 2
H98C H 0.1674 0.6977 0.1863 0.224 Uiso 0.317(6) 1 calc PR A 2
H98D H 0.2961 0.6979 0.2261 0.224 Uiso 0.317(6) 1 calc PR A 2
C99' C 0.225(2) 0.7670(9) 0.2113(11) 0.221(11) Uiso 0.317(6) 1 d PDU A 2
H99D H 0.1732 0.7666 0.2460 0.266 Uiso 0.317(6) 1 calc PR A 2
H99E H 0.1833 0.7863 0.1773 0.266 Uiso 0.317(6) 1 calc PR A 2
H99F H 0.3032 0.7841 0.2235 0.266 Uiso 0.317(6) 1 calc PR A 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.234(2) . y
C1 N1 1.379(3) . y
C1 C2 1.458(3) . y
C2 C3 1.389(3) . y
C2 C7 1.406(3) . y
C3 C4 1.372(3) . y
C4 C5 1.396(3) . y
C5 C6 1.379(3) . y
C6 C7 1.395(3) . y
C7 C8 1.465(3) . y
C8 C20 1.357(3) . y
C8 N1 1.438(2) . y
C11 C12 1.395(3) . y
C11 C16 1.397(3) . y
C11 N1 1.442(3) . y
C12 C13 1.391(3) . y
C12 C17 1.500(3) . y
C13 C14 1.382(4) . y
C14 C15 1.371(4) . y
C15 C16 1.392(3) . y
C16 C18 1.499(3) . y
C20 N2 1.372(3) . y
C20 C30 1.519(3) . y
C21 C26 1.391(3) . y
C21 C22 1.402(3) . y
C21 N2 1.432(3) . y
C22 C23 1.393(3) . y
C22 C27 1.508(3) . y
C23 C24 1.372(3) . y
C24 C25 1.382(3) . y
C25 C26 1.395(3) . y
C26 C28 1.504(3) . y
C30 O2 1.224(2) . y
C30 N3 1.358(3) . y
C31 C32 1.401(3) . y
C31 C36 1.403(3) . y
C31 N3 1.445(3) . y
C32 C33 1.395(3) . y
C32 C37 1.506(3) . y
C33 C34 1.376(3) . y
C34 C35 1.372(3) . y
C35 C36 1.396(3) . y
C36 C38 1.500(3) . y
C1' O1' 1.230(3) . y
C1' N1' 1.386(3) . y
C1' C2' 1.460(3) . y
C2' C3' 1.392(3) . y
C2' C7' 1.399(3) . y
C3' C4' 1.376(4) . y
C4' C5' 1.392(3) . y
C5' C6' 1.385(3) . y
C6' C7' 1.397(3) . y
C7' C8' 1.461(3) . y
C8' C20' 1.357(3) . y
C8' N1' 1.437(3) . y
C11' C16' 1.394(3) . y
C11' C12' 1.401(3) . y
C11' N1' 1.431(3) . y
C12' C13' 1.377(4) . y
C12' C17' 1.507(4) . y
C13' C14' 1.371(4) . y
C14' C15' 1.386(4) . y
C15' C16' 1.403(4) . y
C16' C18' 1.506(4) . y
C20' N2' 1.371(3) . y
C20' C30' 1.518(3) . y
C21' C26' 1.398(3) . y
C21' C22' 1.402(3) . y
C21' N2' 1.424(3) . y
C22' C23' 1.388(3) . y
C22' C27' 1.497(3) . y
C23' C24' 1.370(3) . y
C24' C25' 1.382(4) . y
C25' C26' 1.402(3) . y
C26' C28' 1.503(3) . y
C30' O2' 1.227(2) . y
C30' N3' 1.357(3) . y
C31' C36' 1.397(3) . y
C31' C32' 1.404(3) . y
C31' N3' 1.435(3) . y
C32' C33' 1.397(3) . y
C32' C37' 1.501(3) . y
C33' C34' 1.376(3) . y
C34' C35' 1.376(3) . y
C35' C36' 1.392(3) . y
C36' C38' 1.505(3) . y
C96 C97 1.496(9) . ?
C97 O99 1.375(6) . ?
O99 C98 1.442(9) . ?
C98 C99 1.500(9) . ?
C96' C97' 1.477(14) . ?
C97' O99' 1.452(11) . ?
O99' C98' 1.503(14) . ?
C98' C99' 1.373(16) . ?
