Mal-Val-Cit
                    3D
 Structure written by MMmdl.
 65 65  0  0  1  0            999 V2000
   -3.1459   -2.0368   -2.3877 C   0  0  0  0  0  0
   -1.8843   -2.6648   -1.8741 C   0  0  1  0  0  0
   -1.2487   -1.7660   -0.9150 N   0  0  0  0  0  0
   -0.5000   -0.7071   -1.2247 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0
   -4.1619   -2.6084   -2.7667 O   0  0  0  0  0  0
   -2.2110   -3.9646   -1.2006 C   0  0  0  0  0  0
   -0.9494   -4.5926   -0.6870 C   0  0  0  0  0  0
   -0.0139   -4.8442   -1.8322 C   0  0  0  0  0  0
   -0.6494   -5.7430   -2.7913 N   0  0  0  0  0  0
   -0.9019   -5.4591   -4.0648 C   0  0  0  0  0  0
   -0.6227   -4.3863   -4.5877 O   0  0  0  0  0  0
   -1.4888   -6.4606   -4.7118 N   0  0  0  0  0  0
   -0.2638   -0.3731   -2.3821 O   0  0  0  0  0  0
    1.4600    0.0000    0.0000 N   0  0  0  0  0  0
   -0.5000    1.4142    0.0000 C   0  0  0  0  0  0
    0.0000    2.1213    1.2247 C   0  0  0  0  0  0
    1.9474   -0.6881    1.1919 C   0  0  0  0  0  0
    3.4474   -0.6878    1.1912 C   0  0  0  0  0  0
    3.9337    0.6889    1.1910 N   0  0  0  0  0  0
    4.7038    1.2381    2.1307 C   0  0  0  0  0  0
    5.0220    2.6715    1.8236 C   0  0  0  0  0  0
    5.0917    0.6220    3.1190 O   0  0  0  0  0  0
    6.5077    2.8391    1.7033 C   0  0  0  0  0  0
    6.8260    4.2724    1.3961 C   0  0  0  0  0  0
    8.2721    4.4355    1.2790 N   0  0  0  0  0  0
    8.8734    4.8688    0.1737 C   0  0  0  0  0  0
   10.2668    4.8809    0.4803 C   0  0  0  0  0  0
   10.4168    4.4571    1.7425 C   0  0  0  0  0  0
    9.1222    4.1659    2.2668 C   0  0  0  0  0  0
    8.3228    5.1866   -0.8799 O   0  0  0  0  0  0
    8.8302    3.7532    3.3886 O   0  0  0  0  0  0
   -3.0115   -0.6862   -2.3784 O   0  0  0  0  0  0
   -1.2045   -2.8476   -2.7063 H   0  0  0  0  0  0
   -1.4678   -2.0758    0.0211 H   0  0  0  0  0  0
   -0.3633   -0.5138    0.8900 H   0  0  0  0  0  0
   -2.6855   -4.6356   -1.9166 H   0  0  0  0  0  0
   -2.8908   -3.7818   -0.3684 H   0  0  0  0  0  0
   -1.1868   -5.5372   -0.1976 H   0  0  0  0  0  0
   -0.4749   -3.9216    0.0291 H   0  0  0  0  0  0
    0.9029   -5.3006   -1.4590 H   0  0  0  0  0  0
    0.2235   -3.8996   -2.3216 H   0  0  0  0  0  0
   -0.8658   -6.6135   -2.3317 H   0  0  0  0  0  0
   -1.7635   -6.4499   -5.6823 H   0  0  0  0  0  0
   -1.7313   -7.3535   -4.3120 H   0  0  0  0  0  0
    1.7971   -0.4750   -0.8251 H   0  0  0  0  0  0
   -1.5900    1.4142    0.0000 H   0  0  0  0  0  0
   -0.1367    1.9280   -0.8900 H   0  0  0  0  0  0
   -0.3633    3.1490    1.2247 H   0  0  0  0  0  0
   -0.3633    1.6075    2.1147 H   0  0  0  0  0  0
    1.0900    2.1213    1.2247 H   0  0  0  0  0  0
    1.5843   -1.7159    1.1920 H   0  0  0  0  0  0
    1.5843   -0.1744    2.0820 H   0  0  0  0  0  0
    3.8104   -1.2015    0.3011 H   0  0  0  0  0  0
    3.8112   -1.2015    2.0810 H   0  0  0  0  0  0
    3.5926    1.1580    0.3641 H   0  0  0  0  0  0
    4.6485    3.3067    2.6268 H   0  0  0  0  0  0
    4.5470    2.9560    0.8847 H   0  0  0  0  0  0
    6.8812    2.2038    0.9001 H   0  0  0  0  0  0
    6.9827    2.5546    2.6422 H   0  0  0  0  0  0
    6.4525    4.9076    2.1993 H   0  0  0  0  0  0
    6.3510    4.5569    0.4572 H   0  0  0  0  0  0
   11.0416    5.1849   -0.2086 H   0  0  0  0  0  0
   11.3391    4.3445    2.2939 H   0  0  0  0  0  0
   -3.8106   -0.3036   -2.7032 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 14  2  0  0  0
  5 15  1  0  0  0
  5 16  1  0  0  0
  5 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 15 18  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 17 51  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 21  1  0  0  0
 20 56  1  0  0  0
 21 22  1  0  0  0
 21 23  2  0  0  0
 22 24  1  0  0  0
 22 57  1  0  0  0
 22 58  1  0  0  0
 24 25  1  0  0  0
 24 59  1  0  0  0
 24 60  1  0  0  0
 25 26  1  0  0  0
 25 61  1  0  0  0
 25 62  1  0  0  0
 26 30  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 31  2  0  0  0
 28 29  2  0  0  0
 28 63  1  0  0  0
 29 30  1  0  0  0
 29 64  1  0  0  0
 30 32  2  0  0  0
 33 65  1  0  0  0
M  END
> <s_m_entry_id>
35

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
