REAL300013458603.mol2 43                                                        
   1       C    -0.16    -2.04     8.87      37.16       0.33    -1.71     16
   2       C     0.17     2.29     1.69     -67.93      -0.11     2.18     16
   3       N    -0.72    -8.02     5.08     -58.67      -0.30    -8.32     16
   4       C     0.70     8.37     8.30     -86.91      -0.72     7.65     16
   5       O    -0.56    -8.09    13.16       5.30       0.07    -8.02     16
   6       N    -0.67    -6.45     5.36     -12.63      -0.07    -6.52     16
   7       C     0.24     2.37     6.64     -81.29      -0.54     1.83     16
   8       C    -0.16    -1.37     8.58     -39.97      -0.34    -1.71     16
   9       C     0.00     0.00     9.83     -40.14      -0.39    -0.39     16
  10       C    -0.13    -0.75    10.27     -37.00      -0.38    -1.13     16
  11       C     0.20     1.91     7.36     -79.59      -0.59     1.32     16
  12       C     0.14     1.57     7.33     -79.31      -0.58     0.99     16
  13       N    -0.39    -5.09    18.96      35.14       0.67    -4.42     16
  14       N    -0.29    -3.38    19.05      34.97       0.67    -2.71     16
  15       C    -0.12    -1.87     2.76     -89.81      -0.25    -2.12     16
  16       H     0.09     1.16     8.10     -51.93      -0.42     0.74     16
  17       C    -0.10    -2.04     6.75     -25.92      -0.17    -2.21     16
  18       C    -0.17    -4.00     3.72     -90.96      -0.34    -4.34     16
  19       H     0.08     1.76     7.96     -51.93      -0.41     1.34     16
  20       C     0.50    15.94     6.52      36.01       0.23    16.18     16
  21       O    -0.70   -25.05    17.88     -20.23      -0.36   -25.41     16
  22       O    -0.69   -23.47    15.46     -20.23      -0.31   -23.78     16
  23       C    -0.04    -0.84     0.69    -153.69      -0.11    -0.94     16
  24       C    -0.13    -2.18     9.19      37.16       0.34    -1.84     16
  25       C    -0.12    -2.36     6.33      37.16       0.24    -2.13     16
  26       H     0.08     1.00     5.54     -51.93      -0.29     0.72     16
  27       H     0.05     0.59     8.14     -51.93      -0.42     0.17     16
  28       H     0.06     0.71     8.14     -51.93      -0.42     0.29     16
  29       H     0.10     1.59     6.34     -51.93      -0.33     1.27     16
  30       H     0.40     3.41     8.63     -40.82      -0.35     3.05     16
  31       H     0.41     3.26     8.78     -40.82      -0.36     2.90     16
  32       H     0.17     1.75     5.61     -52.49      -0.29     1.46     16
  33       H     0.15     0.34     8.06     -52.48      -0.42    -0.09     16
  34       H     0.16     0.47     8.06     -52.49      -0.42     0.05     16
  35       H     0.08     1.66     7.57     -51.93      -0.39     1.27     16
  36       H     0.05     1.00     8.14     -51.93      -0.42     0.57     16
  37       H     0.05     0.65     7.60     -51.93      -0.39     0.26     16
  38       H     0.06     1.10     8.11     -51.93      -0.42     0.68     16
  39       H     0.05     0.73     7.94     -51.93      -0.41     0.32     16
  40       H     0.05     1.24     6.70     -51.93      -0.35     0.89     16
  41       H     0.07     1.63     7.22     -51.93      -0.37     1.25     16
  42       H     0.04     0.68     5.01     -51.93      -0.26     0.42     16
 Total:         -1.00   -39.77   341.39                 -5.05   -44.83