REAL300013458641.mol2 37                                                        
   1       O    -0.70   -25.17    18.00     -20.22      -0.36   -25.53     16
   2       C     0.50    15.97     6.99      36.01       0.25    16.22     16
   3       O    -0.70   -24.17    17.29     -20.23      -0.35   -24.52     16
   4       C    -0.15    -3.52     2.58     -91.77      -0.24    -3.76     16
   5       H     0.06     1.48     8.14     -51.93      -0.42     1.06     16
   6       C    -0.10    -2.05     5.19     -26.73      -0.14    -2.19     16
   7       C    -0.11    -1.80     5.92     -26.73      -0.16    -1.95     16
   8       C    -0.12    -1.87     5.49     -26.73      -0.15    -2.02     16
   9       C     0.16     2.47     2.45     -67.93      -0.17     2.30     16
  10       H     0.09     1.47     7.58     -51.93      -0.39     1.08     16
  11       N    -0.72    -9.00     5.08     -58.68      -0.30    -9.30     16
  12       C     0.70     8.67     8.34     -86.92      -0.72     7.95     16
  13       O    -0.56    -8.22    13.40       5.29       0.07    -8.15     16
  14       N    -0.67    -6.56     5.34     -12.63      -0.07    -6.62     16
  15       C     0.23     2.18     6.51     -81.29      -0.53     1.65     16
  16       C    -0.13    -1.00     8.55     -39.97      -0.34    -1.34     16
  17       C    -0.02    -0.09     9.83     -40.14      -0.39    -0.49     16
  18       C    -0.11    -0.59    10.27     -37.01      -0.38    -0.97     16
  19       C     0.19     1.79     7.36     -79.58      -0.59     1.21     16
  20       C     0.15     1.64     7.34     -79.31      -0.58     1.05     16
  21       N    -0.37    -4.87    19.00      35.14       0.67    -4.20     16
  22       N    -0.31    -3.69    19.05      34.97       0.67    -3.02     16
  23       C    -0.10    -1.94     4.39     -26.73      -0.12    -2.06     16
  24       H     0.06     1.30     8.14     -51.93      -0.42     0.88     16
  25       H     0.06     1.25     8.14     -51.93      -0.42     0.82     16
  26       H     0.06     0.84     8.14     -51.93      -0.42     0.41     16
  27       H     0.06     0.96     8.14     -51.93      -0.42     0.54     16
  28       H     0.06     0.90     8.14     -51.93      -0.42     0.47     16
  29       H     0.06     0.92     8.14     -51.93      -0.42     0.50     16
  30       H     0.40     4.14     8.62     -40.82      -0.35     3.79     16
  31       H     0.41     3.32     8.84     -40.82      -0.36     2.95     16
  32       H     0.17     1.48     6.03     -52.49      -0.32     1.17     16
  33       H     0.15     0.21     8.06     -52.49      -0.42    -0.22     16
  34       H     0.16     0.41     8.06     -52.49      -0.42    -0.02     16
  35       H     0.07     1.50     7.87     -51.93      -0.41     1.09     16
  36       H     0.06     1.20     8.14     -51.93      -0.42     0.78     16
 Total:         -1.00   -40.46   308.57                 -5.34   -45.79