#------------------------------------------------------------------------------
#$Date: 2011-09-10 06:16:28 +0300 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2011708.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2011708
loop_
_publ_author_name
'Varma, Ashok K.'
'Nangia, Ashwini'
'Desiraju, Gautam R.'
'Giri, Venkatachalam S.'
'Jaisankar, Parasuraman'
_publ_section_title
;
 Hydrogen bonding in two tetracyclic indole alkaloids
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              97
_journal_page_last               99
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'C17 H16 N2 O2'
_chemical_formula_sum            'C17 H16 N2 O2'
_chemical_formula_weight         280.32
_chemical_name_common
;
3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.
;
_chemical_name_systematic
;
3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.60(3)
_cell_angle_beta                 75.54(3)
_cell_angle_gamma                72.64(3)
_cell_formula_units_Z            4
_cell_length_a                   8.169(16)
_cell_length_b                   12.841(3)
_cell_length_c                   14.772(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.24
_cell_measurement_theta_min      9.12
_cell_volume                     1389(3)
_computing_cell_refinement       'CAD4 Software'
_computing_data_collection       'CAD4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'XTAL (Hall et al., 1995)'
_computing_molecular_graphics    'PLUTON-(C) (Spek, 1979-1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0000
_diffrn_reflns_av_sigmaI/netI    .0352
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4883
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .089
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             592
_exptl_crystal_size_max          .52
_exptl_crystal_size_mid          .48
_exptl_crystal_size_min          .32
_refine_diff_density_max         .198
_refine_diff_density_min         -.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4883
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          .0786
_refine_ls_R_factor_gt           .0466
_refine_ls_shift/su_max          .004
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0564P)^2^+0.2875P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1306
_reflns_number_gt                3225
_reflns_number_total             4883
_reflns_threshold_expression     I>2\s(I)
_[local]_cod_data_source_file    fr1299.cif
_[local]_cod_data_source_block   1
_cod_database_code               2011708
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_type_symbol
C1 .5851(3) .3160(2) .01938(16) .0513(6) Uani d . 1 C
H1B .5278 .3900 -.0047 .062 Uiso calc R 1 H
C2 .6863(3) .2508(2) -.04178(18) .0613(7) Uani d . 1 C
H2A .6990 .2817 -.1079 .074 Uiso calc R 1 H
C3 .7706(3) .1395(2) -.00736(18) .0635(7) Uani d . 1 C
H3A .8384 .0972 -.0508 .076 Uiso calc R 1 H
C4 .7554(3) .0906(2) .09016(18) .0570(6) Uani d . 1 C
H4A .8114 .0159 .1132 .068 Uiso calc R 1 H
C5 .6538(3) 0..15648(19) .15270(16) .0434(5) Uani d . 1 C
C6 .5688(3) .26972(18) .11867(15) .0414(5) Uani d . 1 C
C7 .4787(3) .31179(17) .20191(15) .0402(5) Uani d . 1 C
C8 .5109(3) .22554(17) .28016(15) .0397(5) Uani d . 1 C
C9 .3757(3) .42663(18) .21131(16) .0482(6) Uani d . 1 C
H9A .2583 .4389 .2005 .058 Uiso calc R 1 H
H9B .4292 .4829 .1635 .058 Uiso calc R 1 H
C10 .3698(3) .43724(18) .31155(15) .0488(6) Uani d . 1 C
H10A .4823 .4440 .3162 .059 Uiso calc R 1 H
H10B .2838 .5050 .3227 .059 Uiso calc R 1 H
C11 .4420(3) .22816(17) .38277(15) .0393(5) Uani d . 1 C
H11A .5398 .2172 .4146 .047 Uiso calc R 1 H
C12 .3426(3) .13922(17) .43730(15) .0424(5) Uani d . 1 C
H12A .2528 .1449 .4025 .051 Uiso calc R 1 H
H12B .4217 .0654 .4403 .051 Uiso calc R 1 H
C13 .2591(3) .15046(18) .53838(15) .0416(5) Uani d . 1 C
C14 .1835(3) .26439(17) .54585(15) .0413(5) Uani d . 1 C
C15 .2143(3) .35051(18) .46543(15) .0434(5) Uani d . 1 C
H15A .1497 .4229 .4684 .052 Uiso calc R 1 H
C16 .0682(3) .2987(2) .63011(16) .0491(6) Uani d . 1 C
C17 .0233(4) .2126(2) .72053(18) .0764(9) Uani d . 1 C
H17A -.0529 .2499 .7684 .115 Uiso calc R 1 H
H17B .1280 .1676 .7443 .115 Uiso calc R 1 H
H17C -.0338 .1651 .7068 .115 Uiso calc R 1 H
N1 .6158(2) .13122(15) .25181(12) .0447(5) Uani d . 1 N
H1A .6518 .0671 .2896 .054 Uiso calc R 1 H
N2 .3255(2) .33976(14) .38562(12) .0421(4) Uani d . 1 N
O1 .2539(2) .06512(13) .60409(11) .0601(5) Uani d . 1 O
O2 .0058(2) .39867(15) .62885(12) .0705(5) Uani d . 1 O
C18 -.1661(3) .1609(2) 1.47365(16) .0492(6) Uani d . 1 C
H18A -.1410 .0827 1.4910 .059 Uiso calc R 1 H
C19 -.2608(3) .2217(2) 1.53990(17) .0571(7) Uani d . 1 C
H19A -.3010 .1843 1.6022 .069 Uiso calc R 1 H
C20 -.2974(3) .3387(2) 1.51464(17) .0588(7) Uani d . 1 C
H20A -.3625 .3781 1.5606 .071 Uiso calc R 1 H
C21 -.2396(3) .3976(2) 1.42341(16) .0527(6) Uani d . 1 C
H21A -.2631 .4757 1.4074 .063 Uiso calc R 1 H
C22 -.1452(3) .33613(18) 1.35647(15) .0420(5) Uani d . 1 C
C23 -.1076(3) .21772(18) 1.38001(15) .0405(5) Uani d . 1 C
C24 -.0084(3) .18310(17) 1.29447(15) .0404(5) Uani d . 1 C
C25 .0087(3) .27825(17) 1.22554(15) .0395(5) Uani d . 1 C
C26 .1064(3) .28455(17) 1.12534(15) .0411(5) Uani d . 1 C
H26A .1945 .3266 1.1148 .049 Uiso calc R 1 H
C27 .2400(3) .07979(19) 1.19933(16) .0517(6) Uani d . 1 C
H27A .3257 .0952 1.2255 .062 Uiso calc R 1 H
H27B .2906 .0090 1.1807 .062 Uiso calc R 1 H
C28 .0785(3) .07027(18) 1.27585(16) .0492(6) Uani d . 1 C
H28A -.0003 .0435 1.2538 .059 Uiso calc R 1 H
H28B .1106 .0172 1.3346 .059 Uiso calc R 1 H
C29 -.0034(3) .34039(18) 1.04736(15) .0442(5) Uani d . 1 C
H29A -.0928 .3005 1.0574 .053 Uiso calc R 1 H
H29B -.0609 .4170 1.0518 .053 Uiso calc R 1 H
C30 .1046(3) .34160(18) .94821(16) .0445(5) Uani d . 1 C
C31 .2436(3) .24310(18) .94250(16) .0454(5) Uani d . 1 C
C32 .2672(3) .15935(19) 1.02625(17) .0479(6) Uani d . 1 C
H32A .3391 .0897 1.0195 .057 Uiso calc R 1 H
C33 .3611(3) .2209(2) .85389(18) .0580(7) Uani d . 1 C
C34 .3713(4) .3148(3) .76508(19) .0856(10) Uani d . 1 C
H34A .4539 .2866 .7139 .128 Uiso calc R 1 H
H34B .4077 .3726 .7780 .128 Uiso calc R 1 H
H34C .2588 .3453 .7464 .128 Uiso calc R 1 H
N3 -.0733(2) .37142(15) 1.26140(13) .0461(5) Uani d . 1 N
H3B -.0787 .4401 1.2298 .055 Uiso calc R 1 H
N4 .1968(2) .16994(14) 1.11444(13) .0435(4) Uani d . 1 N
O3 .0624(2) .42082(13) .87975(12) .0640(5) Uani d . 1 O
O4 .4549(3) .12762(17) .85210(15) .0902(7) Uani d . 1 O
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
C1 .0451(13) .0623(15) .0373(13) -.0122(11) -.0038(10) -.0022(12)
C2 .0579(16) .0805(19) .0379(14) -.0175(14) -.0015(12) -.0083(13)
C3 .0631(17) .0759(19) .0488(16) -.0144(14) .0050(13) -.0261(14)
C4 .0517(14) .0514(15) .0568(16) -.0045(12) .0018(12) -.0144(13)
C5 .0347(11) .0490(13) .0409(13) -.0127(10) -.0013(10) -.0048(10)
C6 .0330(11) .0485(13) .0374(12) -.0118(10) -.0027(9) -.0037(10)
C7 .0350(11) .0418(12) .0365(12) -.0086(9) -.0057(9) -.0001(10)
C8 .0314(11) .0431(12) .0371(12) -.0061(9) -.0045(9) -.0031(10)
C9 .0472(13) .0454(13) .0413(13) -.0089(11) -.0060(10) .0014(10)
C10 .0568(14) .0393(13) .0443(14) -.0182(11) -.0021(11) -.0005(10)
C11 .0323(11) .0406(12) .0368(12) -.0041(9) -.0072(9) -.0012(9)
C12 .0409(12) .0371(12) .0388(13) -.0038(9) -.0033(10) -.0027(10)
C13 .0374(11) .0398(12) .0371(12) -.0053(9) -.0055(9) .0013(10)
C14 .0416(12) .0407(12) .0341(12) -.0070(10) -.0056(9) -.0022(10)
C15 .0488(13) .0373(12) .0382(13) -.0051(10) -.0061(10) -.0072(10)
C16 .0526(14) .0451(14) .0405(14) -.0054(11) -.0039(11) -.0072(11)
C17 .100(2) .0620(17) .0451(16) -.0181(16) .0178(15) -.0074(13)
N1 .0395(10) .0424(11) .0377(11) -.0025(8) -.0025(8) .0003(8)
N2 .0472(11) .0369(10) .0343(10) -.0101(8) -.0017(8) -.0019(8)
O1 .0638(11) .0443(9) .0439(10) -.0012(8) .0034(8) .0076(8)
O2 .0893(14) .0501(11) .0502(11) .0007(9) .0055(9) -.0125(8)
C18 .0461(13) .0526(14) .0396(13) -.0097(11) -.0101(11) .0022(11)
C19 .0541(15) .0719(18) .0346(13) -.0125(13) -.0039(11) -.0033(12)
C20 .0580(15) .0733(18) .0396(14) -.0086(13) -.0024(12) -.0183(13)
C21 .0552(14) .0521(14) .0455(15) -.0075(12) -.0051(11) -.0126(12)
C22 .0371(11) .0480(13) .0351(12) -.0084(10) -.0046(9) -.0048(10)
C23 .0317(11) .0474(13) .0373(12) -.0082(9) -.0087(9) -.0021(10)
C24 .0344(11) .0425(12) .0395(12) -.0082(9) -.0061(9) -.0043(10)
C25 .0376(11) .0391(12) .0363(12) -.0063(9) -.0040(9) -.0064(10)
C26 .0399(12) .0371(12) .0407(13) -.0093(9) -.0020(10) -.0054(10)
C27 .0473(13) .0440(13) .0494(15) .0024(11) -.0082(11) -.0042(11)
C28 .0510(14) .0430(13) .0441(14) -.0071(11) -.0082(11) -.0014(11)
C29 .0455(12) .0392(12) .0409(13) -.0060(10) -.0047(10) -.0064(10)
C30 .0547(14) .0391(13) .0393(13) -.0147(11) -.0056(11) -.0078(10)
C31 .0478(13) .0444(13) .0412(13) -.0124(10) -.0010(10) -.0110(11)
C32 .0436(13) .0428(13) .0520(15) -.0067(10) .0000(11) -.0144(11)
C33 .0597(16) .0624(17) .0495(16) -.0135(13) .0022(12) -.0207(13)
C34 .095(2) .089(2) .0484(17) -.0197(18) .0178(16) -.0097(16)
N3 .0519(11) .0386(10) .0387(11) -.0082(9) -.0016(9) -.0042(8)
N4 .0401(10) .0388(10) .0410(11) -.0018(8) -.0027(8) -.0058(8)
O3 .0868(13) .0474(10) .0424(10) -.0069(9) -.0079(9) -.0006(8)
O4 .0989(16) .0715(14) .0720(14) .0088(12) .0155(11) -.0310(11)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
C2 C1 C6 . 119.0(2)
C2 C1 H1B . 120.5
C6 C1 H1B . 120.5
C1 C2 C3 . 121.5(2)
C1 C2 H2A . 119.3
C3 C2 H2A . 119.3
C4 C3 C2 . 121.1(2)
C4 C3 H3A . 119.4
C2 C3 H3A .. 119.4
C3 C4 C5 . 117.7(2)
C3 C4 H4A . 121.1
C5 C4 H4A . 121.1
N1 C5 C4 . 130.6(2)
N1 C5 C6 . 107.70(19)
C4 C5 C6 . 121.7(2)
C1 C6 C5 . 119.0(2)
C1 C6 C7 . 134.3(2)
C5 C6 C7 . 106.69(18)
C8 C7 C6 . 106.81(19)
C8 C7 C9 . 121.9(2)
C6 C7 C9 . 131.19(19)
C7 C8 N1 . 110.24(19)
C7 C8 C11 . 126.6(2)
N1 C8 C11 . 123.18(18)
C7 C9 C10 . 109.05(18)
C7 C9 H9A . 109.9
C10 C9 H9A . 109.9
C7 C9 H9B . 109.9
C10 C9 H9B . 109.9
H9A C9 H9B . 108.3
N2 C10 C9 . 111.50(18)
N2 C10 H10A . 109.3
C9 C10 H10A . 109.3
N2 C10 H10B . 109.3
C9 C10 H10B . 109.3
H10A C10 H10B . 108.0
N2 C11 C8 . 108.16(17)
N2 C11 C12 . 108.92(16)
C8 C11 C12 . 113.40(18)
N2 C11 H11A . 108.8
C8 C11 H11A . 108.8
C12 C11 H11A . 108.8
C13 C12 C11 . 112.51(18)
C13 C12 H12A . 109.1
C11 C12 H12A . 109.1
C13 C12 H12B . 109.1
C11 C12 H12B . 109.1
H12A C12 H12B . 107.8
O1 C13 C14 . 126.4(2)
O1 C13 C12 . 119.4(2)
C14 C13 C12 . 114.04(18)
C15 C14 C13 . 118.3(2)
C15 C14 C16 . 116.2(2)
C13 C14 C16 . 125.42(19)
N2 C15 C14 . 126.4(2)
N2 C15 H15A . 116.8
C14 C15 H15A . 116.8
O2 C16 C14 . 120.8(2)
O2 C16 C17 . 118.5(2)
C14 C16 C17 . 120.8(2)
C16 C17 H17A . 109.5
C16 C17 H17B . 109.5
H17A C17 H17B . 109.5
C16 C17 H17C . 109.5
H17A C17 H17C . 109.5
H17B C17 H17C . 109.5
C8 N1 C5 . 108.56(17)
C8 N1 H1A . 125.7
C5 N1 H1A . 125.7
C15 N2 C10 . 122.00(19)
C15 N2 C11 . 117.85(17)
C10 N2 C11 . 118.04(17)
C19 C18 C23 . 119.3(2)
C19 C18 H18A . 120.4
C23 C18 H18A . 120.4
C18 C19 C20 . 120.6(2)
C18 C19 H19A . 119.7
C20 C19 H19A . 119.7
C21 C20 C19 . 121.8(2)
C21 C20 H20A . 119.1
C19 C20 H20A . 119.1
C20 C21 C22 . 117.5(2)
C20 C21 H21A . 121.3
C22 C21 H21A . 121.3
N3 C22 C21 . 130.3(2)
N3 C22 C23 . 107.83(19)
C21 C22 C23 . 121.8(2)
C18 C23 C22 . 119.0(2)
C18 C23 C24 . 134.4(2)
C22 C23 C24 . 106.62(18)
C25 C24 C23 . 106.64(19)
C25 C24 C28 . 121.2(2)
C23 C24 C28 . 132.00(19)
C24 C25 N3 . 110.55(19)
C24 C25 C26 . 126.3(2)
N3 C25 C26 . 123.16(18)
N4 C26 C25 . 109.14(17)
N4 C26 C29 . 107.90(18)
C25 C26 C29 . 115.10(18)
N4 C26 H26A . 108.2
C25 C26 H26A . 108.2
C29 C26 H26A . 108.2
N4 C27 C28 . 110.67(18)
N4 C27 H27A . 109.5
C28 C27 H27A . 109.5
N4 C27 H27B . 109.5
C28 C27 H27B . 109.5
H27A C27 H27B . 108.1
C24 C28 C27 . 108.47(18)
C24 C28 H28A . 110.0
C27 C28 H28A . 110.0
C24 C28 H28B . 110.0
C27 C28 H28B . 110.0
H28A C28 H28B . 108.4
C30 C29 C26 . 111.82(18)
C30 C29 H29A . 109.3
C26 C29 H29A . 109.3
C30 C29 H29B . 109.3
C26 C29 H29B . 109.3
H29A C29 H29B . 107.9
O3 C30 C31 . 126.0(2)
O3 C30 C29 . 119.3(2)
C31 C30 C29 . 114.53(19)
C32 C31 C30 . 118.3(2)
C32 C31 C33 . 116.3(2)
C30 C31 C33 . 125.3(2)
N4 C32 C31 . 125.6(2)
N4 C32 H32A . 117.2
C31 C32 H32A . 117.2
O4 C33 C31 . 120.9(2)
O4 C33 C34 . 119.3(2)
C31 C33 C34 . 119.8(2)
C33 C34 H34A . 109.5
C33 C34 H34B . 109.5
H34A C34 H34B . 109.5
C33 C34 H34C . 109.5
H34A C34 H34C . 109.5
H34B C34 H34C . 109.5
C25 N3 C22 . 108.36(18)
C25 N3 H3B . 125.8
C22 N3 H3B . 125.8
C32 N4 C27 . 121.97(19)
C32 N4 C26 . 116.62(18)
C27 N4 C26 . 119.82(18)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C1 C2 1.366(3)
C1 C6 1.397(3)
C1 H1B .9300
C2 C3 1.389(4)
C2 H2A .9300
C3 C4 1.379(3)
C3 H3A .9300
C4 C5 1.387(3)
C4 H4A .9300
C5 N1 1.376(3)
C5 C6 1.408(3)
C6 C7 1.433(3)
C7 C8 1.358(3)
C7 C9 1.492(3)
C8 N1 1.372(3)
C8 C11 1.486(3)
C9 C10 1.515(3)
C9 H9A .9700
C9 H9B .9700
C10 N2 1.466(3)
C10 H10A .9700
C10 H10B .9700
C11 N2 1.471(3)
C11 C12 1.513(3)
C11 H11A .9800
C12 C13 1.509(3)
C12 H12A .9700
C12 H12B .9700
C13 O1 1.231(2)
C13 C14 1.434(3)
C14 C15 1.389(3)
C14 C16 1.458(3)
C15 N2 1.312(3)
C15 H15A .9300
C16 O2 1.228(3)
C16 C17 1.502(3)
C17 H17A .9600
C17 H17B .9600
C17 H17C .9600
N1 H1A .8600
C18 C19 1.372(3)
C18 C23 1.396(3)
C18 H18A .9300
C19 C20 1.392(3)
C19 H19A .9300
C20 C21 1.377(3)
C20 H20A .9300
C21 C22 1.385(3)
C21 H21A .9300
C22 N3 1.374(3)
C22 C23 1.409(3)
C23 C24 1.436(3)
C24 C25 1.355(3)
C24 C28 1.485(3)
C25 N3 1.373(3)
C25 C26 1.487(3)
C26 N4 1.473(3)
C26 C29 1.511(3)
C26 H26A .9800
C27 N4 1.465(3)
C27 C28 1.518(3)
C27 H27A .9700
C27 H27B .9700
C28 H28A .9700
C28 H28B .9700
C29 C30 1.508(3)
C29 H29A .9700
C29 H29B .9700
C30 O3 1.235(3)
C30 C31 1.434(3)
C31 C32 1.387(3)
C31 C33 1.466(3)
C32 N4 1.316(3)
C32 H32A .9300
C33 O4 1.217(3)
C33 C34 1.497(4)
C34 H34A .9600
C34 H34B .9600
C34 H34C .9600
N3 H3B .8600
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N1 H1A O1 2_656 .86 2.04 2.888(2) 167
N3 H3B O3 2_567 .86 2.03 2.863(3) 162
C10 H10B O2 2_566 .97 2.36 3.245(3) 151
C12 H12B O1 2_656 .97 2.72 3.594(3) 150
C15 H15A O2 2_566 .93 2.48 3.265(3) 142
C27 H27B O4 2_657 .97 2.34 3.191(3) 146
C29 H29B O3 2_567 .97 2.57 3.410(3) 145