REAL300013458630.mol2 35                                                        
   1       O    -0.68   -48.52    17.84      23.99       0.43   -48.10     16
   2       C     0.48    30.20     8.05      70.92       0.57    30.77     16
   3       O    -0.65   -38.98    13.91      18.73       0.26   -38.72     16
   4       C     0.46    24.43     7.76      87.34       0.68    25.11     16
   5       O    -0.57   -32.76    16.37      12.53       0.21   -32.56     16
   6       N    -0.59   -23.65     2.95    -818.48      -2.41   -26.06     16
   7       C     0.08     2.47     6.58      86.41       0.57     3.03     16
   8       C     0.10     2.30     6.58      86.41       0.57     2.87     16
   9       N    -0.62   -14.92     2.94    -835.15      -2.46   -17.37     16
  10       C     0.71    16.34     8.06     179.06       1.44    17.78     16
  11       O    -0.58   -14.94    12.93      -3.99      -0.05   -15.00     16
  12       N    -0.66   -12.53     5.24    -312.15      -1.64   -14.17     16
  13       C     0.21     3.72     6.64      40.07       0.27     3.99     16
  14       C    -0.14    -1.71     8.58      22.02       0.19    -1.52     16
  15       C     0.02     0.07     9.83      21.91       0.22     0.28     16
  16       C    -0.12    -0.66    10.27      23.94       0.25    -0.42     16
  17       C     0.20     3.35     7.36      44.12       0.32     3.67     16
  18       C     0.15     3.18     7.33      44.50       0.33     3.51     16
  19       N    -0.46   -12.72    18.96     -42.74      -0.81   -13.53     16
  20       N    -0.31    -6.80    19.05     -43.28      -0.82    -7.62     16
  21       C     0.13     3.71     6.61      86.56       0.57     4.28     16
  22       C     0.03     0.94     6.47      86.56       0.56     1.50     16
  23       H     0.08     2.19     8.14      -2.39      -0.02     2.17     16
  24       H     0.09     3.02     7.03      -2.39      -0.02     3.00     16
  25       H     0.12     1.73     5.58      -2.39      -0.01     1.71     16
  26       H     0.09     1.93     8.14      -2.39      -0.02     1.91     16
  27       H     0.42     7.14     6.26     -92.70      -0.58     6.56     16
  28       H     0.17     2.36     5.61      -2.91      -0.02     2.34     16
  29       H     0.20    -1.04     8.06      -2.91      -0.02    -1.07     16
  30       H     0.20    -0.31     8.06      -2.91      -0.02    -0.33     16
  31       H     0.07     2.17     8.14      -2.39      -0.02     2.15     16
  32       H     0.12     3.06     7.02      -2.39      -0.02     3.05     16
  33       H     0.07     2.20     8.14      -2.39      -0.02     2.19     16
  34       H     0.17     7.31     3.65     -87.52      -0.32     6.99     16
 Total:         -1.00   -85.74   294.14                 -1.86   -87.60