REAL300019804030.mol2 43                                                        
   1       C    -0.14    -6.22     9.46      71.98       0.68    -5.53     16
   2       C    -0.11    -5.04     4.52      30.60       0.14    -4.90     16
   3       C     0.30    13.04     0.42       2.86       0.00    13.04     16
   4       C    -0.12    -4.87     4.67      30.60       0.14    -4.73     16
   5       C    -0.14    -5.18     9.43      71.98       0.68    -4.51     16
   6       N    -0.70   -26.16     3.40    -426.35      -1.45   -27.62     16
   7       C     0.52    17.89     6.92      87.66       0.61    18.50     16
   8       O    -0.56   -23.56    11.71      10.01       0.12   -23.45     16
   9       C    -0.15    -3.60     5.39      29.85       0.16    -3.44     16
  10       C     0.12     3.06     3.12      29.79       0.09     3.15     16
  11       O    -0.45   -18.35    13.97    -122.16      -1.71   -20.06     16
  12       O    -0.78   -36.81    18.54    -128.57      -2.38   -39.20     16
  13       C     0.26     5.08    10.27      22.77       0.23     5.32     16
  14       C    -0.12    -0.92    10.09      22.43       0.23    -0.70     16
  15       C    -0.05     0.17    10.04      22.27       0.22     0.39     16
  16       C    -0.07     0.40    10.04      22.34       0.22     0.62     16
  17       C    -0.06    -0.05    10.04      22.24       0.22     0.17     16
  18       C    -0.08    -1.09     5.56     -19.69      -0.11    -1.20     16
  19       C     0.07     3.51     6.11     138.58       0.85     4.35     16
  20       N    -0.37   -20.60    10.04     -51.29      -0.52   -21.11     16
  21       N    -0.22   -13.29    13.47      37.02       0.50   -12.79     16
  22       N    -0.22   -13.78    13.47      37.02       0.50   -13.28     16
  23       N    -0.39   -22.50     9.55     -51.29      -0.49   -22.99     16
  24       H     0.04     1.67     7.60      -2.39      -0.02     1.65     16
  25       H     0.06     3.08     5.50      -2.39      -0.01     3.06     16
  26       H     0.05     2.17     8.14      -2.38      -0.02     2.16     16
  27       H     0.06     2.56     8.14      -2.39      -0.02     2.54     16
  28       H     0.07     3.39     6.17      -2.39      -0.01     3.38     16
  29       H     0.08     3.36     6.32      -2.39      -0.02     3.35     16
  30       H     0.05     1.99     8.14      -2.39      -0.02     1.98     16
  31       H     0.06     1.92     8.14      -2.39      -0.02     1.90     16
  32       H     0.06     2.50     5.69      -2.39      -0.01     2.49     16
  33       H     0.06     1.98     7.29      -2.39      -0.02     1.96     16
  34       H     0.40    14.30     8.46     -92.71      -0.78    13.51     16
  35       H     0.15     1.92     8.14      -2.39      -0.02     1.90     16
  36       H     0.10     2.38     8.14      -2.39      -0.02     2.36     16
  37       H     0.11     2.87     7.93      -2.39      -0.02     2.85     16
  38       H     0.32    14.84     9.30     -74.05      -0.69    14.15     16
  39       H     0.18     1.26     8.06      -2.91      -0.02     1.24     16
  40       H     0.22    -2.67     8.06      -2.91      -0.02    -2.70     16
  41       H     0.21    -3.04     8.06      -2.91      -0.02    -3.06     16
  42       H     0.21    -1.11     8.06      -2.91      -0.02    -1.14     16
 Total:         -1.00  -103.52   345.59                 -2.86  -106.37