Mal-Val-Cit-Glucuronide-PABC
                    3D
 Structure written by MMmdl.
 84 86  0  0  1  0            999 V2000
    4.6738    0.2481   -1.0677 N   0  0  0  0  0  0
    5.1696   -0.9896   -1.0677 C   0  0  0  0  0  0
    6.6696   -0.9896   -1.0677 C   0  0  1  0  0  0
    4.4608   -1.9918   -1.0677 O   0  0  0  0  0  0
    7.1563   -1.6778    0.1244 N   0  0  0  0  0  0
    7.1696   -1.6967   -2.2924 C   0  0  0  0  0  0
    7.5921   -1.0856    1.2367 C   0  0  0  0  0  0
    8.0199   -2.0853    2.2700 C   0  0  1  0  0  0
    7.6283    0.1338    1.3725 O   0  0  0  0  0  0
    9.4679   -1.8746    2.6002 C   0  0  0  0  0  0
    7.1935   -1.9083    3.5092 C   0  0  0  0  0  0
    7.6213   -2.9079    4.5425 C   0  0  0  0  0  0
    5.7456   -2.1190    3.1790 C   0  0  0  0  0  0
   10.2942   -2.0516    1.3609 C   0  0  0  0  0  0
   10.7804   -3.4465    1.1002 C   0  0  0  0  0  0
   10.5557   -1.1155    0.6088 O   0  0  0  0  0  0
   12.0519   -3.3930    0.3847 N   0  0  0  0  0  0
   12.1453   -3.3749   -0.9427 C   0  0  0  0  0  0
   13.5432   -3.3216   -1.2234 C   0  0  0  0  0  0
   14.2000   -3.3110   -0.0556 C   0  0  0  0  0  0
   13.2345   -3.3573    0.9939 C   0  0  0  0  0  0
   13.4301   -3.3637    2.2087 O   0  0  0  0  0  0
   11.2089   -3.3997   -1.7406 O   0  0  0  0  0  0
    3.2552    0.5932   -1.0677 C   0  0  0  0  0  0
    2.8472    1.8564   -0.6560 C   0  0  0  0  0  0
    1.4968    2.1849   -0.6560 C   0  0  0  0  0  0
    0.5543    1.2501   -1.0677 C   0  0  0  0  0  0
    0.9622   -0.0131   -1.4793 C   0  0  0  0  0  0
    2.3127   -0.3416   -1.4793 C   0  0  0  0  0  0
   -0.9032    1.6046   -1.0677 C   0  0  0  0  0  0
   -1.5858    0.7449   -0.2313 O   0  0  0  0  0  0
   -0.0550   -1.0220   -1.9236 C   0  0  0  0  0  0
    0.5577   -1.9331   -2.9456 C   0  0  0  0  0  0
   -0.4596   -2.9420   -3.3899 C   0  0  2  0  0  0
   -0.8979   -3.6949   -2.2549 O   0  0  0  0  0  0
   -1.9068   -4.6655   -2.5500 C   0  0  1  0  0  0
   -1.3645   -5.6947   -3.5602 C   0  0  2  0  0  0
   -0.8262   -5.0085   -4.8270 C   0  0  1  0  0  0
    0.1533   -3.8873   -4.4410 C   0  0  1  0  0  0
   -2.3131   -5.3518   -1.2796 C   0  0  0  0  0  0
   -1.2318   -5.9654   -0.7350 O   0  0  0  0  0  0
   -3.4291   -5.3825   -0.7734 O   0  0  0  0  0  0
    0.5293   -3.1713   -5.5592 O   0  0  0  0  0  0
   -0.2136   -5.9266   -5.6553 O   0  0  0  0  0  0
   -2.3515   -6.6021   -3.8873 O   0  0  0  0  0  0
    5.2190    1.0984   -1.0677 H   0  0  0  0  0  0
    7.0330    0.0381   -1.0677 H   0  0  0  0  0  0
    7.1096   -2.6749   -0.0294 H   0  0  0  0  0  0
    6.8063   -1.1829   -3.1824 H   0  0  0  0  0  0
    8.2596   -1.6967   -2.2924 H   0  0  0  0  0  0
    6.8063   -2.7244   -2.2924 H   0  0  0  0  0  0
    7.8791   -3.0935    1.8803 H   0  0  0  0  0  0
    9.7787   -2.6010    3.3511 H   0  0  0  0  0  0
    9.6087   -0.8664    2.9899 H   0  0  0  0  0  0
    7.3344   -0.9001    3.8989 H   0  0  0  0  0  0
    7.4805   -3.9161    4.1529 H   0  0  0  0  0  0
    8.6735   -2.7548    4.7825 H   0  0  0  0  0  0
    7.0208   -2.7793    5.4430 H   0  0  0  0  0  0
    5.6048   -3.1272    2.7894 H   0  0  0  0  0  0
    5.1451   -1.9903    4.0796 H   0  0  0  0  0  0
    5.4347   -1.3926    2.4282 H   0  0  0  0  0  0
   10.0461   -3.9804    0.4970 H   0  0  0  0  0  0
   10.9186   -3.9662    2.0483 H   0  0  0  0  0  0
   13.9666   -3.2955   -2.2171 H   0  0  0  0  0  0
   15.2688   -3.2743    0.0983 H   0  0  0  0  0  0
    3.5811    2.5842   -0.3355 H   0  0  0  0  0  0
    1.1792    3.1684   -0.3355 H   0  0  0  0  0  0
    2.6303   -1.3251   -1.7998 H   0  0  0  0  0  0
   -1.2985    1.5171   -2.0797 H   0  0  0  0  0  0
   -1.0281    2.6288   -0.7162 H   0  0  0  0  0  0
   -2.5704    0.9084   -0.1694 H   0  0  0  0  0  0
   -0.9100   -0.5071   -2.3619 H   0  0  0  0  0  0
   -0.3845   -1.6079   -1.0655 H   0  0  0  0  0  0
    1.4126   -2.4480   -2.5074 H   0  0  0  0  0  0
    0.8871   -1.3472   -3.8037 H   0  0  0  0  0  0
   -1.2924   -2.3758   -3.8129 H   0  0  0  0  0  0
   -2.8027   -4.1745   -2.9363 H   0  0  0  0  0  0
   -0.5668   -6.2703   -3.0876 H   0  0  0  0  0  0
   -1.6573   -4.5891   -5.3983 H   0  0  0  0  0  0
    1.0686   -4.3228   -4.0367 H   0  0  0  0  0  0
   -1.5002   -6.3927    0.0623 H   0  0  0  0  0  0
   -0.2187   -2.7119   -6.0382 H   0  0  0  0  0  0
   -0.6271   -6.0207   -6.5609 H   0  0  0  0  0  0
   -3.1555   -6.2093   -4.3338 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 46  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
  3 47  1  0  0  0
  5  7  1  0  0  0
  5 48  1  0  0  0
  6 49  1  0  0  0
  6 50  1  0  0  0
  6 51  1  0  0  0
  7  8  1  0  0  0
  7  9  2  0  0  0
  8 10  1  0  0  0
  8 11  1  0  0  0
  8 52  1  0  0  0
 10 14  1  0  0  0
 10 53  1  0  0  0
 10 54  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 55  1  0  0  0
 12 56  1  0  0  0
 12 57  1  0  0  0
 12 58  1  0  0  0
 13 59  1  0  0  0
 13 60  1  0  0  0
 13 61  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 15 17  1  0  0  0
 15 62  1  0  0  0
 15 63  1  0  0  0
 17 21  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 23  2  0  0  0
 19 20  2  0  0  0
 19 64  1  0  0  0
 20 21  1  0  0  0
 20 65  1  0  0  0
 21 22  2  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 66  1  0  0  0
 26 27  2  0  0  0
 26 67  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 32  1  0  0  0
 29 68  1  0  0  0
 30 31  1  0  0  0
 30 69  1  0  0  0
 30 70  1  0  0  0
 31 71  1  0  0  0
 32 33  1  0  0  0
 32 72  1  0  0  0
 32 73  1  0  0  0
 33 34  1  0  0  0
 33 74  1  0  0  0
 33 75  1  0  0  0
 34 39  1  0  0  0
 34 35  1  0  0  0
 34 76  1  0  0  0
 35 36  1  0  0  0
 36 37  1  0  0  0
 36 40  1  0  0  0
 36 77  1  0  0  0
 37 38  1  0  0  0
 37 45  1  0  0  0
 37 78  1  0  0  0
 38 39  1  0  0  0
 38 44  1  0  0  0
 38 79  1  0  0  0
 39 43  1  0  0  0
 39 80  1  0  0  0
 40 41  1  0  0  0
 40 42  2  0  0  0
 41 81  1  0  0  0
 43 82  1  0  0  0
 44 83  1  0  0  0
 45 84  1  0  0  0
M  END
> <i_m_stars>
0

> <s_m_entry_id>
126

> <s_m_entry_name>
Structure126

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
