REAL300009356166.mol2 41                                                        
   1       O    -0.67   -21.38    15.49     -20.23      -0.31   -21.70     16
   2       C     0.49    14.58     6.04      36.01       0.22    14.80     16
   3       O    -0.68   -22.46    17.97     -20.23      -0.36   -22.83     16
   4       C     0.04     0.80     3.28     -68.15      -0.22     0.58     16
   5       C    -0.08    -1.53     6.38     -27.04      -0.17    -1.70     16
   6       C    -0.01    -0.21     7.15     -80.12      -0.57    -0.78     16
   7       C     0.63     9.28     7.81     -13.02      -0.10     9.18     16
   8       O    -0.51    -8.76    17.17       5.17       0.09    -8.68     16
   9       N    -0.62    -6.32     3.33    -172.21      -0.57    -6.89     16
  10       C     0.11     0.83     5.51      -3.06      -0.02     0.81     16
  11       C    -0.17    -0.92     6.95     -24.89      -0.17    -1.09     16
  12       C     0.38     2.71     6.78     -24.59      -0.17     2.54     16
  13       O    -0.71   -11.09    16.52     -57.73      -0.95   -12.04     16
  14       O    -0.71   -11.13    17.78     -57.73      -1.03   -12.16     16
  15       C     0.07     0.60     6.15      -2.54      -0.02     0.58     16
  16       N    -0.17    -2.95     8.62      34.93       0.30    -2.65     16
  17       N    -0.42    -8.62     3.61     -52.29      -0.19    -8.81     16
  18       C     0.24     4.81     6.08     -83.78      -0.51     4.30     16
  19       C    -0.17    -2.73     9.64     -39.37      -0.38    -3.11     16
  20       C    -0.09    -1.32    10.04     -39.61      -0.40    -1.72     16
  21       C    -0.17    -2.40    10.04     -39.53      -0.40    -2.80     16
  22       C    -0.09    -1.43    10.04     -39.61      -0.40    -1.83     16
  23       C    -0.13    -2.62     8.19     -39.37      -0.32    -2.94     16
  24       H     0.09     1.89     8.14     -51.93      -0.42     1.47     16
  25       H     0.09     1.64     8.14     -51.93      -0.42     1.22     16
  26       H     0.10     2.24     7.72     -51.93      -0.40     1.84     16
  27       H     0.11     0.82     7.74     -51.93      -0.40     0.42     16
  28       H     0.10     0.82     7.60     -51.93      -0.39     0.42     16
  29       H     0.13     0.45     8.14     -51.93      -0.42     0.02     16
  30       H     0.13     0.71     8.14     -51.93      -0.42     0.29     16
  31       H     0.18     0.66     8.14     -51.93      -0.42     0.24     16
  32       H     0.33     4.50     8.90      45.56       0.41     4.90     16
  33       H     0.33     4.47     8.90      45.56       0.41     4.88     16
  34       H     0.12     1.08     8.04     -51.93      -0.42     0.66     16
  35       H     0.12     1.23     7.48     -51.93      -0.39     0.84     16
  36       H     0.12     1.70     7.66     -52.48      -0.40     1.30     16
  37       H     0.12     1.26     8.06     -52.49      -0.42     0.84     16
  38       H     0.12     1.30     8.06     -52.49      -0.42     0.88     16
  39       H     0.12     1.70     8.06     -52.49      -0.42     1.28     16
  40       H     0.12     2.78     6.32     -52.49      -0.33     2.45     16
 Total:         -1.00   -43.04   345.81                 -6.75   -49.79