46 MOL                               0
   1   1   6.6684  -5.3900   0.0000C
   2   2   6.6684  -6.9300   0.0000C
   3   8   8.0021  -7.7000   0.0000O
   4   2   8.0021  -9.2400   0.0000C
   5   8   9.3358 -10.0100   0.0000O
   6   2  10.6694  -9.2400   0.0000C
   7   2  10.6694  -7.7000   0.0000C
   8   8   9.3358  -6.9300   0.0000O
   9   2  12.0031  -6.9300   0.0000C
  10   8  12.0031  -5.3900   0.0000O
  11   2  13.3368  -7.7000   0.0000C
  12   1  14.6705  -6.9300   0.0000C
  13   8  14.6705  -5.3900   0.0000O
  14   8  13.3368  -9.2400   0.0000O
  15   2  12.0031 -10.0100   0.0000C
  16   8  12.0031 -11.5500   0.0000O
  17   2  13.3368 -12.3200   0.0000C
  18   2  14.6705 -11.5500   0.0000C
  19  19  14.6705 -10.0100   0.0000N
  20   2  16.0041  -9.2400   0.0000C
  21   1  17.3378 -10.0100   0.0000C
  22   8  16.0041  -7.7000   0.0000O
  23   2  16.0041 -12.3200   0.0000C
  24   8  17.3378 -11.5500   0.0000O
  25   8  16.0041 -13.8600   0.0000O
  26   2  14.6705 -14.6300   0.0000C
  27   1  14.6705 -16.1700   0.0000C
  28   8  16.0041 -16.9400   0.0000O
  29   2  13.3368 -13.8600   0.0000C
  30   8  12.0031 -14.6300   0.0000O
  31   2  12.0031 -16.1700   0.0000C
  32   8  13.3368 -16.9400   0.0000O
  33   2  13.3368 -18.4800   0.0000C
  34   1  14.6705 -19.2500   0.0000C
  35   2  12.0031 -19.2500   0.0000C
  36   8  12.0031 -20.7900   0.0000O
  37   2  10.6694 -18.4800   0.0000C
  38   8   9.3358 -19.2500   0.0000O
  39   2  10.6694 -16.9400   0.0000C
  40   8   9.3358 -16.1700   0.0000O
  41   2   6.6684 -10.0100   0.0000C
  42   8   6.6684 -11.5500   0.0000O
  43   2   5.3347  -9.2400   0.0000C
  44   8   4.0010 -10.0100   0.0000O
  45   2   5.3347  -7.7000   0.0000C
  46   8   4.0010  -6.9300   0.0000O
  49 MOL
   1   2   1            1
   2   2   3            1
   3   3   4            1
   4   4   5            1
   5   6   5            1
   6   6   7            1
   7   7   8            1
   8   7   9            1
   9   9  10            1
  10   9  11            1
  11  11  12            1
  12  12  13            1
  13  11  14            1
  14  14  15            1
  15   6  15            1
  16  15  16            1
  17  17  16            1
  18  17  18            1
  19  18  19            1
  20  19  20            1
  21  20  21            1
  22  20  22            2
  23  18  23            1
  24  23  24            1
  25  23  25            1
  26  25  26            1
  27  26  27            1
  28  27  28            1
  29  26  29            1
  30  17  29            1
  31  29  30            1
  32  31  30            1
  33  31  32            1
  34  32  33            1
  35  33  34            1
  36  33  35            1
  37  35  36            1
  38  35  37            1
  39  37  38            1
  40  37  39            1
  41  31  39            1
  42  39  40            1
  43   4  41            1
  44  41  42            1
  45  41  43            1
  46  43  44            1
  47  43  45            1
  48   2  45            1
  49  45  46            1
   0 MOL