REAL300019650446.mol2 41                                                        
   1       O    -0.50    -9.94    13.42       5.55       0.07    -9.87     16
   2       C     0.51     7.30     7.67     -10.98      -0.08     7.21     16
   3       C    -0.13    -1.23     5.68     -27.88      -0.16    -1.39     16
   4       C    -0.07    -0.72     4.62     -27.89      -0.13    -0.85     16
   5       C    -0.08    -0.58     5.16    -104.37      -0.54    -1.12     16
   6       C    -0.09    -0.34     9.69     -39.59      -0.38    -0.72     16
   7       C    -0.10    -0.24    10.04     -39.47      -0.40    -0.64     16
   8       C    -0.11    -0.38    10.04     -39.60      -0.40    -0.77     16
   9       C    -0.08    -0.58     6.31    -104.36      -0.66    -1.24     16
  10       C     0.26     2.55     9.97     -38.85      -0.39     2.16     16
  11       O    -0.53    -8.54    17.75     -56.57      -1.00    -9.54     16
  12       O    -0.47    -7.24    15.05     -56.57      -0.85    -8.09     16
  13       C     0.09     0.89     7.74      35.92       0.28     1.17     16
  14       N    -0.67    -8.91     5.34      -9.89      -0.05    -8.96     16
  15       C     0.13     2.29     6.29     -83.73      -0.53     1.76     16
  16       C    -0.16    -2.39     9.96     -39.34      -0.39    -2.78     16
  17       C    -0.11    -1.71    10.03     -39.66      -0.40    -2.11     16
  18       C    -0.12    -2.41     9.70     -39.23      -0.38    -2.79     16
  19       C     0.06     1.54     5.87    -104.92      -0.62     0.93     16
  20       C     0.08     2.41     7.93    -156.44      -1.24     1.17     16
  21       N    -0.36   -11.85    12.15      32.14       0.39   -11.46     16
  22       N    -0.19    -6.44    13.46      60.35       0.81    -5.63     16
  23       N    -0.19    -6.38    13.46      60.35       0.81    -5.57     16
  24       N    -0.37   -11.76    12.15      32.14       0.39   -11.37     16
  25       C    -0.10    -2.31     8.35     -39.07      -0.33    -2.63     16
  26       H     0.10     0.95     8.14     -51.93      -0.42     0.52     16
  27       H     0.10     0.55     8.14     -51.93      -0.42     0.13     16
  28       H     0.10     0.89     8.01     -51.93      -0.42     0.47     16
  29       H     0.10     1.43     7.29     -51.93      -0.38     1.06     16
  30       H     0.16     0.27     8.06     -52.49      -0.42    -0.16     16
  31       H     0.15    -0.08     8.06     -52.49      -0.42    -0.50     16
  32       H     0.16     0.11     8.06     -52.48      -0.42    -0.32     16
  33       H     0.36     4.95     9.30      45.56       0.42     5.37     16
  34       H     0.07     0.53     8.14     -51.93      -0.42     0.10     16
  35       H     0.07     0.55     8.14     -51.93      -0.42     0.13     16
  36       H     0.41     3.59     8.82     -40.82      -0.36     3.23     16
  37       H     0.12     1.28     8.06     -52.48      -0.42     0.86     16
  38       H     0.12     1.53     8.06     -52.48      -0.42     1.11     16
  39       H     0.13     2.70     7.88     -52.49      -0.41     2.28     16
  40       H     0.15     3.71     6.04     -52.49      -0.32     3.40     16
 Total:         -1.00   -43.99   358.01                 -6.04   -50.03