REAL300013458631.mol2 37                                                        
   1       C    -0.14    -1.78     7.61      37.15       0.28    -1.50     16
   2       C     0.16     2.33     3.50     -67.60      -0.24     2.09     16
   3       C    -0.13    -2.04     5.37     -26.61      -0.14    -2.18     16
   4       C    -0.10    -1.92     4.87     -26.69      -0.13    -2.05     16
   5       C    -0.17    -3.96     2.71     -91.87      -0.25    -4.21     16
   6       C     0.50    15.64     7.00      36.01       0.25    15.89     16
   7       O    -0.69   -24.58    18.00     -20.22      -0.36   -24.94     16
   8       O    -0.69   -23.37    17.31     -20.23      -0.35   -23.72     16
   9       C     0.13     2.50     5.67      -3.94      -0.02     2.48     16
  10       N    -0.61    -9.85     2.98    -171.17      -0.51   -10.36     16
  11       C     0.71    10.81     7.93     -86.92      -0.69    10.12     16
  12       O    -0.57    -8.43     9.23       5.29       0.05    -8.38     16
  13       N    -0.67    -9.63     5.25     -12.63      -0.07    -9.69     16
  14       C     0.23     2.87     6.53     -81.29      -0.53     2.34     16
  15       C    -0.13    -1.22     8.56     -39.97      -0.34    -1.56     16
  16       C    -0.03    -0.20     9.83     -40.13      -0.39    -0.59     16
  17       C    -0.10    -0.77    10.27     -37.01      -0.38    -1.15     16
  18       C     0.18     2.21     7.36     -79.59      -0.59     1.62     16
  19       C     0.15     2.17     7.34     -79.31      -0.58     1.59     16
  20       N    -0.33    -5.86    19.00      35.14       0.67    -5.19     16
  21       N    -0.33    -4.93    19.05      34.97       0.67    -4.26     16
  22       H     0.06     0.94     6.93     -51.93      -0.36     0.58     16
  23       H     0.04     0.50     8.14     -51.93      -0.42     0.07     16
  24       H     0.08     1.06     6.56     -51.93      -0.34     0.72     16
  25       H     0.08     1.04     8.14     -51.93      -0.42     0.62     16
  26       H     0.07     0.94     8.14     -51.93      -0.42     0.52     16
  27       H     0.06     0.99     8.14     -51.93      -0.42     0.57     16
  28       H     0.07     1.47     7.92     -51.93      -0.41     1.06     16
  29       H     0.06     1.24     8.14     -51.94      -0.42     0.82     16
  30       H     0.06     1.55     8.14     -51.93      -0.42     1.13     16
  31       H     0.07     1.29     5.57     -51.93      -0.29     1.00     16
  32       H     0.08     1.58     8.14     -51.93      -0.42     1.16     16
  33       H     0.42     6.22     6.28     -40.82      -0.26     5.97     16
  34       H     0.17     1.67     5.94     -52.49      -0.31     1.36     16
  35       H     0.15     0.39     8.06     -52.49      -0.42    -0.03     16
  36       H     0.16     0.70     8.06     -52.49      -0.42     0.28     16
 Total:         -1.00   -38.41   297.68                 -4.95   -43.35