REAL300033151760.mol2 43                                                        
   1       C     0.09     1.23     7.90      59.84       0.47     1.71     16
   2       N    -0.61   -10.13     3.09    -176.98      -0.55   -10.68     16
   3       C     0.61    13.75     7.65     -12.48      -0.10    13.65     16
   4       O    -0.50   -13.13    15.26     -12.84      -0.20   -13.33     16
   5       C    -0.04    -1.06     6.44     -83.92      -0.54    -1.60     16
   6       N    -0.49   -10.11     7.65      24.03       0.18    -9.93     16
   7       S     0.41     8.28    24.20    -107.50      -2.60     5.68     16
   8       N    -0.59   -15.88    12.18      28.50       0.35   -15.53     16
   9       C     0.38    11.21     8.18     -17.49      -0.14    11.07     16
  10       O    -0.64   -22.01    17.66     -37.23      -0.66   -22.67     16
  11       C     0.12     1.67     4.37     -70.14      -0.31     1.36     16
  12       C     0.09     0.94     8.00      -2.97      -0.02     0.92     16
  13       N    -0.64    -8.29     3.61    -178.51      -0.64    -8.94     16
  14       C     0.54     7.83     7.95     -10.99      -0.09     7.74     16
  15       O    -0.53    -9.92    16.18      -7.28      -0.12   -10.03     16
  16       C    -0.15    -1.57     5.14     -27.88      -0.14    -1.71     16
  17       C     0.13     1.57     3.11     -27.97      -0.09     1.48     16
  18       O    -0.39    -6.72    14.02     -63.05      -0.88    -7.60     16
  19       O    -0.61   -10.23    18.54     -56.57      -1.05   -11.28     16
  20       C     0.24     2.30    10.28     -38.81      -0.40     1.90     16
  21       C    -0.12    -0.68    10.09     -39.33      -0.40    -1.07     16
  22       C    -0.08    -0.20    10.04     -39.59      -0.40    -0.59     16
  23       C    -0.11    -0.23    10.04     -39.47      -0.40    -0.62     16
  24       C    -0.09    -0.38    10.04     -39.63      -0.40    -0.77     16
  25       C    -0.08    -0.62     5.56    -104.36      -0.58    -1.20     16
  26       C     0.09     1.28     8.34      -2.97      -0.02     1.25     16
  27       H     0.06     0.75     8.09     -51.93      -0.42     0.33     16
  28       H     0.06     0.64     6.18     -51.93      -0.32     0.32     16
  29       H     0.09     1.45     5.80     -51.93      -0.30     1.15     16
  30       H     0.13     2.00     7.29     -51.92      -0.38     1.62     16
  31       H     0.09     0.86     6.60     -51.92      -0.34     0.52     16
  32       H     0.09     0.73     8.14     -51.93      -0.42     0.30     16
  33       H     0.10     0.98     8.14     -51.93      -0.42     0.55     16
  34       H     0.10     0.66     8.14     -51.93      -0.42     0.24     16
  35       H     0.10     1.18     7.91     -51.93      -0.41     0.77     16
  36       H     0.35     5.08     9.30      45.56       0.42     5.50     16
  37       H     0.16     0.71     8.06     -52.49      -0.42     0.28     16
  38       H     0.16    -0.11     8.06     -52.49      -0.42    -0.53     16
  39       H     0.15    -0.09     8.06     -52.49      -0.42    -0.52     16
  40       H     0.16     0.27     8.06     -52.49      -0.42    -0.15     16
  41       H     0.09     1.27     8.14     -51.93      -0.42     0.84     16
  42       H     0.09     1.13     7.05     -51.93      -0.37     0.77     16
 Total:         -1.00   -43.58   378.53                 -9.51   -53.09