REAL300019794427.mol2 42                                                        
   1       O    -0.58   -24.04    14.87       9.25       0.14   -23.90     16
   2       C     0.51    15.78     7.59      87.66       0.67    16.45     16
   3       C    -0.15    -2.96     3.73      29.85       0.11    -2.85     16
   4       C     0.12     2.76     3.11      29.79       0.09     2.85     16
   5       O    -0.46   -17.72    14.02    -122.39      -1.72   -19.43     16
   6       O    -0.77   -33.86    18.54    -128.58      -2.38   -36.24     16
   7       C     0.26     4.50    10.28      22.77       0.23     4.73     16
   8       C    -0.12    -0.64    10.09      22.44       0.23    -0.42     16
   9       C    -0.04     0.24    10.04      22.27       0.22     0.47     16
  10       C    -0.07     0.49    10.04      22.34       0.22     0.72     16
  11       C    -0.06     0.04    10.04      22.24       0.22     0.27     16
  12       C    -0.08    -0.92     5.56     -19.69      -0.11    -1.03     16
  13       N    -0.61   -17.75     2.97    -818.02      -2.43   -20.18     16
  14       C     0.12     2.64     6.13      86.51       0.53     3.17     16
  15       C    -0.14    -4.09     5.08      30.82       0.16    -3.93     16
  16       C     0.25     9.73     0.94     -11.52      -0.01     9.72     16
  17       O    -0.56   -20.25    11.69    -148.98      -1.74   -21.99     16
  18       C     0.04     2.08     6.86     138.59       0.95     3.03     16
  19       N    -0.40   -23.55    11.77     -51.29      -0.60   -24.15     16
  20       N    -0.22   -13.95    13.47      37.02       0.50   -13.45     16
  21       N    -0.22   -13.36    13.47      37.02       0.50   -12.86     16
  22       N    -0.39   -21.77    12.43     -51.29      -0.64   -22.41     16
  23       C    -0.09    -3.63     4.63      30.68       0.14    -3.49     16
  24       C     0.13     4.33     6.19      86.37       0.53     4.86     16
  25       H     0.11     2.00     7.93      -2.39      -0.02     1.98     16
  26       H     0.15     1.39     7.70      -2.39      -0.02     1.37     16
  27       H     0.10     2.54     7.91      -2.39      -0.02     2.53     16
  28       H     0.33    13.80     9.30     -74.06      -0.69    13.11     16
  29       H     0.18     0.84     8.06      -2.91      -0.02     0.82     16
  30       H     0.22    -3.00     8.06      -2.91      -0.02    -3.02     16
  31       H     0.21    -3.20     8.06      -2.91      -0.02    -3.23     16
  32       H     0.20    -1.30     8.06      -2.91      -0.02    -1.33     16
  33       H     0.09     1.84     7.81      -2.39      -0.02     1.82     16
  34       H     0.13     1.67     5.93      -2.39      -0.01     1.65     16
  35       H     0.07     2.08     8.14      -2.39      -0.02     2.06     16
  36       H     0.09     2.62     8.14      -2.39      -0.02     2.61     16
  37       H     0.39    12.31     9.04     -74.06      -0.67    11.64     16
  38       H     0.07     2.75     8.14      -2.39      -0.02     2.73     16
  39       H     0.06     2.70     8.14      -2.39      -0.02     2.68     16
  40       H     0.08     2.84     7.00      -2.39      -0.02     2.83     16
  41       H     0.08     2.55     7.81      -2.39      -0.02     2.54     16
 Total:         -1.00  -111.46   348.77                 -5.83  -117.29