REAL300019969678.mol2 42                                                        
   1       O    -0.52    -8.29    13.42       5.55       0.07    -8.22     16
   2       C     0.52     6.42     7.67     -10.99      -0.08     6.33     16
   3       C    -0.13    -1.08     5.68     -27.88      -0.16    -1.24     16
   4       C    -0.07    -0.55     4.62     -27.89      -0.13    -0.68     16
   5       C    -0.08    -0.48     5.16    -104.37      -0.54    -1.02     16
   6       C    -0.08    -0.25     9.68     -39.59      -0.38    -0.63     16
   7       C    -0.10    -0.15    10.04     -39.48      -0.40    -0.55     16
   8       C    -0.10    -0.27    10.04     -39.61      -0.40    -0.67     16
   9       C    -0.08    -0.49     6.31    -104.37      -0.66    -1.14     16
  10       C     0.26     2.18     9.97     -38.85      -0.39     1.80     16
  11       O    -0.54    -7.55    17.75     -56.57      -1.00    -8.55     16
  12       O    -0.46    -6.45    15.05     -56.57      -0.85    -7.30     16
  13       C     0.09     0.77     7.74      35.91       0.28     1.04     16
  14       N    -0.67    -8.53     5.34      -9.88      -0.05    -8.59     16
  15       C     0.15     2.62     6.30     -83.72      -0.53     2.09     16
  16       C    -0.15    -2.72     8.69     -39.36      -0.34    -3.06     16
  17       C    -0.08    -1.49    10.03     -39.64      -0.40    -1.88     16
  18       C    -0.16    -3.62     9.40     -39.36      -0.37    -3.99     16
  19       C     0.22     5.13     6.69     -83.63      -0.56     4.57     16
  20       N    -0.46   -12.38     3.80     -14.03      -0.05   -12.43     16
  21       N    -0.10    -2.77    12.85      60.35       0.78    -2.00     16
  22       N    -0.05    -1.28    13.66      60.35       0.82    -0.46     16
  23       N    -0.51   -15.74    12.93      27.78       0.36   -15.38     16
  24       C     0.56    17.03     9.05     -86.42      -0.78    16.25     16
  25       O    -0.61   -19.22    15.32       5.10       0.08   -19.15     16
  26       C    -0.17    -3.30     9.58     -39.21      -0.38    -3.68     16
  27       H     0.10     0.83     8.14     -51.93      -0.42     0.41     16
  28       H     0.10     0.52     8.14     -51.92      -0.42     0.10     16
  29       H     0.10     0.69     8.01     -51.93      -0.42     0.27     16
  30       H     0.10     1.12     7.30     -51.93      -0.38     0.74     16
  31       H     0.16     0.12     8.06     -52.48      -0.42    -0.31     16
  32       H     0.15    -0.19     8.06     -52.48      -0.42    -0.61     16
  33       H     0.16    -0.03     8.06     -52.48      -0.42    -0.46     16
  34       H     0.36     4.11     9.30      45.56       0.42     4.53     16
  35       H     0.07     0.47     8.14     -51.93      -0.42     0.05     16
  36       H     0.07     0.47     8.14     -51.92      -0.42     0.05     16
  37       H     0.41     3.89     8.82     -40.82      -0.36     3.53     16
  38       H     0.13     2.31     6.22     -52.49      -0.33     1.98     16
  39       H     0.13     1.96     8.06     -52.49      -0.42     1.53     16
  40       H     0.15     3.78     5.52     -52.49      -0.29     3.49     16
  41       H     0.13     2.43     7.70     -52.49      -0.40     2.03     16
 Total:         -1.00   -40.01   364.43                 -5.70   -45.71