REAL300013458645.mol2 35                                                        
   1       O    -0.75   -55.98    16.88      19.04       0.32   -55.66     16
   2       C     0.47    31.85     7.49      71.24       0.53    32.38     16
   3       O    -0.74   -55.62    17.03      19.03       0.32   -55.30     16
   4       C    -0.16    -7.57     2.96     -10.14      -0.03    -7.60     16
   5       C    -0.11    -4.11     5.94      31.99       0.19    -3.92     16
   6       C     0.11     3.23     5.19      46.94       0.24     3.47     16
   7       C    -0.11    -2.05     6.54      32.92       0.22    -1.83     16
   8       C    -0.12    -2.86     6.46      32.21       0.21    -2.66     16
   9       C     0.16     6.59     4.37      46.23       0.20     6.79     16
  10       N    -0.64   -24.30     2.87    -748.80      -2.15   -26.46     16
  11       C     0.72    28.94     8.45     179.05       1.51    30.45     16
  12       O    -0.59   -27.46    14.10      -3.97      -0.06   -27.51     16
  13       N    -0.66   -21.47     5.35    -312.14      -1.67   -23.14     16
  14       C     0.21     6.22     6.64      40.07       0.27     6.48     16
  15       C    -0.15    -3.53     8.58      22.02       0.19    -3.34     16
  16       C     0.02     0.25     9.83      21.91       0.22     0.46     16
  17       C    -0.12    -1.48    10.27      23.94       0.25    -1.24     16
  18       C     0.20     4.80     7.36      44.12       0.32     5.13     16
  19       C     0.15     4.52     7.33      44.51       0.33     4.85     16
  20       N    -0.46   -16.87    18.96     -42.73      -0.81   -17.68     16
  21       N    -0.29    -8.27    19.04     -43.27      -0.82    -9.09     16
  22       H     0.11     4.37     7.85      -2.39      -0.02     4.35     16
  23       H     0.03     1.56     7.06      -2.39      -0.02     1.54     16
  24       H     0.11     3.24     7.91      -2.39      -0.02     3.22     16
  25       H     0.13     3.02     7.25      -2.39      -0.02     3.00     16
  26       H     0.10     1.42     8.14      -2.38      -0.02     1.40     16
  27       H     0.11     1.53     7.90      -2.39      -0.02     1.51     16
  28       H     0.08     1.84     8.14      -2.39      -0.02     1.82     16
  29       H     0.10     2.07     7.85      -2.39      -0.02     2.05     16
  30       H     0.08     4.03     7.66      -2.38      -0.02     4.01     16
  31       H     0.42    12.22     7.56     -92.71      -0.70    11.52     16
  32       H     0.16     4.29     5.60      -2.91      -0.02     4.27     16
  33       H     0.21     0.55     8.06      -2.91      -0.02     0.53     16
  34       H     0.21     0.85     8.06      -2.91      -0.02     0.83     16
 Total:         -1.00  -104.20   290.67                 -1.15  -105.35