REAL300013458630.mol2 35                                                        
   1       O    -0.63   -21.58    17.84     -25.84      -0.46   -22.04     16
   2       C     0.50    15.22     8.05      35.52       0.29    15.50     16
   3       O    -0.64   -18.95    13.91     -20.31      -0.28   -19.23     16
   4       C     0.46    11.97     7.76     -11.48      -0.09    11.88     16
   5       O    -0.55   -15.37    16.37     -10.87      -0.18   -15.55     16
   6       N    -0.60   -12.35     2.95    -172.64      -0.51   -12.86     16
   7       C     0.09     1.37     6.58      -3.60      -0.02     1.35     16
   8       C     0.10     1.19     6.58      -3.60      -0.02     1.17     16
   9       N    -0.61    -8.26     2.94    -177.94      -0.52    -8.78     16
  10       C     0.71     9.13     8.06     -86.93      -0.70     8.43     16
  11       O    -0.56    -8.14    12.93       5.29       0.07    -8.07     16
  12       N    -0.67    -7.16     5.24     -12.63      -0.07    -7.22     16
  13       C     0.24     2.43     6.64     -81.29      -0.54     1.89     16
  14       C    -0.16    -1.30     8.58     -39.97      -0.34    -1.64     16
  15       C     0.00    -0.01     9.83     -40.14      -0.39    -0.41     16
  16       C    -0.13    -0.70    10.27     -37.00      -0.38    -1.08     16
  17       C     0.20     1.90     7.36     -79.59      -0.59     1.31     16
  18       C     0.14     1.61     7.33     -79.31      -0.58     1.03     16
  19       N    -0.38    -5.22    18.96      35.14       0.67    -4.56     16
  20       N    -0.29    -3.44    19.05      34.97       0.67    -2.78     16
  21       C     0.12     1.77     6.61      -3.36      -0.02     1.75     16
  22       C     0.03     0.48     6.47      -3.37      -0.02     0.46     16
  23       H     0.06     0.93     8.14     -51.93      -0.42     0.51     16
  24       H     0.10     1.67     7.03     -51.93      -0.37     1.30     16
  25       H     0.08     0.71     5.58     -51.93      -0.29     0.42     16
  26       H     0.08     1.03     8.14     -51.93      -0.42     0.60     16
  27       H     0.41     4.00     6.26     -40.82      -0.26     3.74     16
  28       H     0.17     1.57     5.61     -52.48      -0.29     1.28     16
  29       H     0.15     0.21     8.06     -52.48      -0.42    -0.22     16
  30       H     0.16     0.41     8.06     -52.49      -0.42    -0.01     16
  31       H     0.08     1.17     8.14     -51.93      -0.42     0.75     16
  32       H     0.10     1.50     7.02     -51.93      -0.36     1.13     16
  33       H     0.05     0.90     8.14     -51.93      -0.42     0.48     16
  34       H     0.20     4.35     3.65     -57.30      -0.21     4.14     16
 Total:         -1.00   -36.97   294.14                 -3.92   -40.89