REAL300013458649.mol2 35                                                        
   1       C    -0.15    -3.36     8.01      37.16       0.30    -3.06     16
   2       C     0.03     0.83     1.02     -91.62      -0.09     0.74     16
   3       C     0.52    16.53     6.80      36.01       0.24    16.77     16
   4       O    -0.67   -23.80    17.40     -26.63      -0.46   -24.27     16
   5       O    -0.68   -23.33    17.72     -20.22      -0.36   -23.69     16
   6       C     0.12     2.61     5.22      -3.54      -0.02     2.59     16
   7       N    -0.61   -10.09     2.53    -177.75      -0.45   -10.54     16
   8       C     0.71    10.87     8.13     -86.91      -0.71    10.16     16
   9       O    -0.56    -9.85    13.20       5.30       0.07    -9.78     16
  10       N    -0.67    -8.00     5.20     -12.63      -0.07    -8.07     16
  11       C     0.23     2.50     6.52     -81.29      -0.53     1.97     16
  12       C    -0.13    -1.16     8.54     -39.97      -0.34    -1.51     16
  13       C    -0.02    -0.11     9.83     -40.14      -0.39    -0.50     16
  14       C    -0.11    -0.70    10.27     -37.01      -0.38    -1.08     16
  15       C     0.19     1.97     7.36     -79.58      -0.59     1.38     16
  16       C     0.15     1.82     7.34     -79.31      -0.58     1.23     16
  17       N    -0.37    -5.21    19.00      35.14       0.67    -4.54     16
  18       N    -0.31    -3.93    19.05      34.97       0.67    -3.27     16
  19       C     0.07     0.96     6.55      -3.32      -0.02     0.94     16
  20       C     0.04     0.59     6.61      37.53       0.25     0.83     16
  21       O    -0.34    -7.86     9.76     -55.05      -0.54    -8.40     16
  22       H     0.07     1.65     8.10     -51.92      -0.42     1.23     16
  23       H     0.06     1.28     8.14     -51.93      -0.42     0.86     16
  24       H     0.04     0.82     6.11     -51.93      -0.32     0.50     16
  25       H     0.11     2.47     7.06     -51.93      -0.37     2.10     16
  26       H     0.07     1.59     8.14     -51.93      -0.42     1.17     16
  27       H     0.41     4.18     6.48     -40.82      -0.26     3.92     16
  28       H     0.17     1.74     6.03     -52.49      -0.32     1.43     16
  29       H     0.15     0.36     8.06     -52.48      -0.42    -0.07     16
  30       H     0.16     0.53     8.06     -52.49      -0.42     0.11     16
  31       H     0.08     1.03     8.14     -51.93      -0.42     0.61     16
  32       H     0.08     0.76     5.87     -51.93      -0.30     0.45     16
  33       H     0.05     0.84     6.25     -51.93      -0.32     0.52     16
  34       H     0.10     1.31     8.14     -51.93      -0.42     0.88     16
 Total:         -1.00   -40.18   290.63                 -3.81   -43.99