REAL300013458594.mol2 37                                                        
   1       C    -0.13    -2.44     7.69      37.15       0.29    -2.15     16
   2       C    -0.13    -2.95     0.73    -155.62      -0.11    -3.06     16
   3       C     0.50    15.61     6.80      36.01       0.25    15.85     16
   4       O    -0.70   -23.84    17.04     -20.23      -0.34   -24.18     16
   5       O    -0.70   -23.83    17.05     -20.23      -0.34   -24.18     16
   6       C    -0.10    -1.96     4.53     -26.61      -0.12    -2.08     16
   7       C     0.10     1.47     5.88      -3.71      -0.02     1.44     16
   8       N    -0.61    -9.02     2.98    -178.77      -0.53    -9.55     16
   9       C     0.71    10.16     8.07     -86.92      -0.70     9.46     16
  10       O    -0.57    -8.95    12.91       5.29       0.07    -8.88     16
  11       N    -0.67    -8.13     5.21     -12.63      -0.07    -8.20     16
  12       C     0.24     2.75     6.64     -81.29      -0.54     2.21     16
  13       C    -0.16    -1.54     8.58     -39.97      -0.34    -1.88     16
  14       C     0.00     0.00     9.83     -40.14      -0.39    -0.40     16
  15       C    -0.13    -0.83    10.27     -37.01      -0.38    -1.21     16
  16       C     0.20     2.07     7.36     -79.59      -0.59     1.48     16
  17       C     0.14     1.76     7.33     -79.31      -0.58     1.18     16
  18       N    -0.38    -5.49    18.96      35.14       0.67    -4.83     16
  19       N    -0.29    -3.68    19.05      34.97       0.67    -3.01     16
  20       C     0.13     1.97     5.95      -3.93      -0.02     1.94     16
  21       C    -0.10    -2.06     4.51     -26.84      -0.12    -2.18     16
  22       H     0.05     1.03     8.14     -51.93      -0.42     0.60     16
  23       H     0.05     1.06     8.14     -51.93      -0.42     0.64     16
  24       H     0.04     0.69     4.99     -51.93      -0.26     0.43     16
  25       H     0.08     1.68     7.81     -51.92      -0.41     1.28     16
  26       H     0.06     1.23     8.14     -51.93      -0.42     0.81     16
  27       H     0.08     1.00     6.69     -51.93      -0.35     0.65     16
  28       H     0.07     0.78     5.75     -51.93      -0.30     0.48     16
  29       H     0.41     4.65     6.36     -40.82      -0.26     4.39     16
  30       H     0.17     1.88     5.60     -52.49      -0.29     1.58     16
  31       H     0.15     0.38     8.06     -52.49      -0.42    -0.05     16
  32       H     0.16     0.55     8.06     -52.48      -0.42     0.12     16
  33       H     0.09     1.40     6.99     -51.93      -0.36     1.03     16
  34       H     0.07     0.99     6.70     -51.93      -0.35     0.65     16
  35       H     0.08     1.75     7.81     -51.93      -0.41     1.35     16
  36       H     0.06     1.27     8.14     -51.93      -0.42     0.84     16
 Total:         -1.00   -38.61   294.75                 -4.36   -42.97