REAL300020188366.mol2 41                                                        
   1       O    -0.54   -10.35    14.87      -7.28      -0.11   -10.46     16
   2       C     0.52     8.04     7.59     -10.99      -0.08     7.96     16
   3       C    -0.16    -1.77     3.73     -27.89      -0.10    -1.88     16
   4       C     0.13     1.55     3.12     -27.97      -0.09     1.46     16
   5       O    -0.37    -6.19    14.02     -63.05      -0.88    -7.07     16
   6       O    -0.59    -9.55    18.54     -56.57      -1.05   -10.60     16
   7       C     0.24     2.23    10.28     -38.81      -0.40     1.83     16
   8       C    -0.12    -0.66    10.09     -39.33      -0.40    -1.06     16
   9       C    -0.08    -0.20    10.04     -39.59      -0.40    -0.60     16
  10       C    -0.10    -0.25    10.04     -39.47      -0.40    -0.65     16
  11       C    -0.09    -0.40    10.04     -39.62      -0.40    -0.80     16
  12       C    -0.07    -0.60     5.56    -104.36      -0.58    -1.18     16
  13       N    -0.61    -9.04     2.97    -172.48      -0.51    -9.55     16
  14       C     0.11     1.37     6.37      -3.49      -0.02     1.35     16
  15       C    -0.12    -1.99     5.36     -26.39      -0.14    -2.13     16
  16       C     0.03     0.63     2.62     -91.73      -0.24     0.39     16
  17       C     0.06     1.64     6.87    -156.72      -1.08     0.56     16
  18       N    -0.39   -11.41    12.43      32.44       0.40   -11.00     16
  19       N    -0.20    -6.38    13.47      60.35       0.81    -5.56     16
  20       N    -0.20    -6.40    13.47      60.35       0.81    -5.59     16
  21       N    -0.39   -11.83    12.43      32.44       0.40   -11.42     16
  22       C    -0.12    -2.19     5.34     -26.59      -0.14    -2.33     16
  23       C     0.11     1.80     6.43      -3.69      -0.02     1.78     16
  24       H     0.10     1.03     7.93     -51.93      -0.41     0.61     16
  25       H     0.10     0.82     7.70     -51.93      -0.40     0.42     16
  26       H     0.10     1.31     7.91     -51.93      -0.41     0.90     16
  27       H     0.35     4.83     9.30      45.56       0.42     5.26     16
  28       H     0.16     0.67     8.06     -52.48      -0.42     0.25     16
  29       H     0.16    -0.10     8.06     -52.48      -0.42    -0.53     16
  30       H     0.15    -0.04     8.06     -52.49      -0.42    -0.46     16
  31       H     0.16     0.41     8.06     -52.48      -0.42    -0.02     16
  32       H     0.07     0.82     8.14     -51.93      -0.42     0.40     16
  33       H     0.08     0.78     5.93     -51.93      -0.31     0.48     16
  34       H     0.07     1.33     8.14     -51.93      -0.42     0.90     16
  35       H     0.07     1.20     8.14     -51.93      -0.42     0.77     16
  36       H     0.07     1.45     8.14     -51.93      -0.42     1.03     16
  37       H     0.07     1.47     8.14     -51.93      -0.42     1.05     16
  38       H     0.07     1.35     8.14     -51.93      -0.42     0.93     16
  39       H     0.09     1.50     7.01     -51.93      -0.36     1.13     16
  40       H     0.07     0.95     8.14     -51.93      -0.42     0.52     16
 Total:         -1.00   -42.17   340.65                 -5.60   -47.76