
  Mrv2314 07222409572D          

 53 56  0  0  0  0            999 V2000
    6.0122   -4.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5997   -3.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872   -2.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3622   -2.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497   -2.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247   -2.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7122   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8872   -1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747   -0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8872   -0.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6497   -0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878   -0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -1.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8573   -0.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8573    0.3997    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0727    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178    1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3027    2.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1277    2.1067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3826    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1672    3.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8347    2.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6193    2.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8742    3.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6812    3.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1042    2.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9292    2.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6193    1.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8347    1.8363    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8742    0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3893    0.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5643    0.1293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3094   -0.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6442   -0.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4289   -0.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0122   -0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5247   -0.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7152    3.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7152    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631    3.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203    2.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1171    2.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3307    3.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7005    2.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497   -1.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6642   -1.7437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2321    1.1384    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -2.9687    1.1161    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 35 41  1  0  0  0  0
 22 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
  5 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51  5  1  0  0  0  0
 18 13  1  0  0  0  0
 44 20  1  0  0  0  0
 41 16  2  0  0  0  0
 38 33  1  0  0  0  0
 31 24  1  0  0  0  0
M  CHG  4  17  -1  31  -1  52  -1  53   3
M  END
$$$$
