REAL300019847498.mol2 35                                                        
   1       O    -0.53   -25.36    12.88      -3.79      -0.05   -25.40     16
   2       C     0.55    17.81     7.19      86.86       0.62    18.44     16
   3       C    -0.11    -2.17     5.46     -20.04      -0.11    -2.28     16
   4       C    -0.03    -0.35     7.42      22.50       0.17    -0.18     16
   5       C    -0.08    -1.01     9.74      22.45       0.22    -0.79     16
   6       C     0.34     6.75     9.79      22.80       0.22     6.97     16
   7       O    -0.74   -26.04    17.23    -127.47      -2.20   -28.24     16
   8       O    -0.72   -23.16    17.23    -127.47      -2.20   -25.36     16
   9       C    -0.10    -1.69     9.73      22.45       0.22    -1.47     16
  10       C    -0.01    -0.25     9.59      22.49       0.22    -0.04     16
  11       N    -0.60   -16.81     3.02    -800.76      -2.42   -19.23     16
  12       C     0.04     0.55     5.75      86.36       0.50     1.04     16
  13       C     0.03     0.42     6.75      72.08       0.49     0.90     16
  14       O    -0.38    -8.41    10.74    -148.98      -1.60   -10.01     16
  15       C     0.08     2.37     6.27      72.08       0.45     2.82     16
  16       C     0.23     8.37     3.62      44.22       0.16     8.53     16
  17       C     0.09     4.76     4.40     138.59       0.61     5.37     16
  18       N    -0.38   -21.67    10.81     -51.30      -0.55   -22.22     16
  19       N    -0.22   -14.07    13.47      37.02       0.50   -13.57     16
  20       N    -0.23   -14.71    13.47      37.02       0.50   -14.21     16
  21       N    -0.41   -24.55    12.40     -51.29      -0.64   -25.19     16
  22       H     0.22     1.14     5.31      -2.91      -0.02     1.13     16
  23       H     0.21     1.75     7.75      -2.91      -0.02     1.73     16
  24       H     0.34    10.14     8.90     -74.06      -0.66     9.48     16
  25       H     0.34     9.47     8.90     -74.06      -0.66     8.81     16
  26       H     0.19     3.22     7.76      -2.91      -0.02     3.20     16
  27       H     0.18     3.54     7.99      -2.91      -0.02     3.51     16
  28       H     0.14     0.93     3.48      -2.39      -0.01     0.92     16
  29       H     0.10     1.17     8.14      -2.39      -0.02     1.15     16
  30       H     0.07     0.76     7.79      -2.39      -0.02     0.74     16
  31       H     0.15     0.62     8.14      -2.39      -0.02     0.60     16
  32       H     0.10     3.16     8.14      -2.39      -0.02     3.14     16
  33       H     0.06     1.83     8.07      -2.39      -0.02     1.81     16
  34       H     0.09     3.29     8.14      -2.39      -0.02     3.27     16
 Total:         -1.00   -98.24   295.48                 -6.42  -104.66