REAL300009850836.mol2 42                                                        
   1       O    -0.68   -24.98    17.32     -20.22      -0.35   -25.33     16
   2       C     0.48    16.52     8.11      36.01       0.29    16.82     16
   3       O    -0.70   -26.38    18.00     -20.23      -0.36   -26.75     16
   4       C     0.04     1.04     5.76      -5.19      -0.03     1.01     16
   5       N    -0.57   -12.06     2.30    -176.33      -0.41   -12.47     16
   6       C     0.11     1.71     6.38      -4.48      -0.03     1.69     16
   7       C    -0.13    -1.21     6.02     -26.60      -0.16    -1.37     16
   8       C    -0.11    -1.13     5.24     -26.53      -0.14    -1.26     16
   9       C    -0.12    -1.54     1.93     -93.14      -0.18    -1.72     16
  10       C     0.53     7.78     6.50     -10.98      -0.07     7.71     16
  11       O    -0.47   -10.06    15.16     -12.18      -0.18   -10.24     16
  12       N    -0.61    -5.29     2.97    -172.77      -0.51    -5.80     16
  13       C     0.09     0.30     6.27      -3.71      -0.02     0.27     16
  14       C    -0.12    -0.15     6.08     -26.61      -0.16    -0.31     16
  15       C    -0.16    -0.64     5.74     -26.69      -0.15    -0.80     16
  16       C     0.31     2.36     5.91     -26.61      -0.16     2.20     16
  17       O    -0.64   -10.54    17.67     -57.73      -1.02   -11.56     16
  18       O    -0.70   -12.66    17.76     -57.73      -1.03   -13.69     16
  19       C     0.06     0.56     4.61      -3.71      -0.02     0.54     16
  20       C     0.53    11.12     6.62     -11.87      -0.08    11.04     16
  21       O    -0.54   -14.07    15.09     -12.18      -0.18   -14.25     16
  22       H     0.07     1.60     7.86     -51.93      -0.41     1.19     16
  23       H     0.08     2.20     7.20     -51.93      -0.37     1.82     16
  24       H     0.07     0.96     7.92     -51.93      -0.41     0.55     16
  25       H     0.07     1.29     8.14     -51.93      -0.42     0.87     16
  26       H     0.07     0.54     8.12     -51.93      -0.42     0.12     16
  27       H     0.09     0.58     8.14     -51.93      -0.42     0.16     16
  28       H     0.08     1.10     8.09     -51.93      -0.42     0.68     16
  29       H     0.08     0.39     7.80     -51.93      -0.41    -0.02     16
  30       H     0.12     1.05     6.27     -51.93      -0.33     0.73     16
  31       H     0.11     0.25     5.09     -51.93      -0.26    -0.01     16
  32       H     0.09     0.21     8.14     -51.93      -0.42    -0.22     16
  33       H     0.09     0.07     8.14     -51.93      -0.42    -0.35     16
  34       H     0.11    -0.13     8.14     -51.93      -0.42    -0.55     16
  35       H     0.11     0.48     8.14     -51.93      -0.42     0.06     16
  36       H     0.10     0.38     8.14     -51.93      -0.42    -0.04     16
  37       H     0.14     0.86     8.14     -51.93      -0.42     0.44     16
  38       H     0.34     5.34     9.20      45.56       0.42     5.76     16
  39       H     0.31     4.52     6.58      45.56       0.30     4.81     16
  40       H     0.11     0.82     7.45     -51.93      -0.39     0.43     16
  41       H     0.13     1.50     6.85     -51.93      -0.36     1.14     16
 Total:         -1.00   -55.29   335.04                 -6.34   -61.63