REAL300032218872.mol2 40                                                        
   1       O    -0.53    -9.67    16.18      -7.27      -0.12    -9.78     16
   2       C     0.54     7.72     7.95     -10.98      -0.09     7.64     16
   3       C    -0.15    -1.60     5.13     -27.88      -0.14    -1.75     16
   4       C     0.13     1.55     3.12     -27.98      -0.09     1.46     16
   5       O    -0.39    -6.57    14.02     -63.04      -0.88    -7.46     16
   6       O    -0.60    -9.96    18.54     -56.57      -1.05   -11.01     16
   7       C     0.24     2.29    10.28     -38.81      -0.40     1.89     16
   8       C    -0.12    -0.67    10.09     -39.33      -0.40    -1.07     16
   9       C    -0.08    -0.20    10.04     -39.59      -0.40    -0.60     16
  10       C    -0.11    -0.24    10.04     -39.48      -0.40    -0.64     16
  11       C    -0.09    -0.38    10.03     -39.63      -0.40    -0.78     16
  12       C    -0.08    -0.62     5.56    -104.36      -0.58    -1.20     16
  13       N    -0.65    -8.12     3.61    -178.34      -0.64    -8.76     16
  14       C     0.10     1.21     8.59      -2.97      -0.03     1.19     16
  15       C     0.12     1.59     4.40     -70.15      -0.31     1.28     16
  16       N    -0.72   -11.54     5.37     -56.40      -0.30   -11.84     16
  17       C     0.61    13.56     7.81     -12.48      -0.10    13.46     16
  18       O    -0.50   -12.90    15.34     -13.00      -0.20   -13.10     16
  19       C    -0.05    -1.19     6.69     -83.92      -0.56    -1.75     16
  20       N    -0.50   -10.67    10.83      24.02       0.26   -10.41     16
  21       S     0.42     8.66    24.20    -107.50      -2.60     6.06     16
  22       N    -0.59   -16.20    12.18      28.49       0.35   -15.85     16
  23       C     0.38    11.32     8.19     -17.49      -0.14    11.18     16
  24       O    -0.64   -22.26    17.64     -37.36      -0.66   -22.92     16
  25       C     0.09     0.95     8.43      -2.85      -0.02     0.93     16
  26       H     0.10     1.02     8.14     -51.93      -0.42     0.59     16
  27       H     0.10     0.71     8.13     -51.93      -0.42     0.28     16
  28       H     0.10     1.17     7.91     -51.93      -0.41     0.76     16
  29       H     0.35     4.97     9.30      45.56       0.42     5.39     16
  30       H     0.16     0.70     8.06     -52.49      -0.42     0.28     16
  31       H     0.16    -0.10     8.06     -52.48      -0.42    -0.52     16
  32       H     0.15    -0.07     8.06     -52.48      -0.42    -0.49     16
  33       H     0.16     0.31     8.06     -52.49      -0.42    -0.12     16
  34       H     0.09     1.07     8.14     -51.93      -0.42     0.65     16
  35       H     0.09     0.96     8.11     -51.93      -0.42     0.54     16
  36       H     0.13     1.85     7.50     -51.93      -0.39     1.46     16
  37       H     0.41     5.84     8.20     -40.82      -0.33     5.51     16
  38       H     0.09     0.95     8.14     -51.93      -0.42     0.53     16
  39       H     0.09     0.88     8.14     -51.93      -0.42     0.45     16
 Total:         -1.00   -43.69   368.20                 -9.28   -52.97