REAL300009850762.mol2 45                                                        
   1       O    -0.72   -56.04    17.32      19.05       0.33   -55.71     16
   2       C     0.46    32.76     8.11      71.24       0.58    33.34     16
   3       O    -0.75   -58.69    18.00      19.06       0.34   -58.35     16
   4       C     0.06     3.34     5.76      85.63       0.49     3.83     16
   5       N    -0.57   -25.26     2.30    -830.99      -1.91   -27.17     16
   6       C     0.10     2.99     6.38      86.49       0.55     3.54     16
   7       C    -0.11    -1.93     6.02      30.67       0.18    -1.75     16
   8       C    -0.11    -2.21     5.24      30.72       0.16    -2.05     16
   9       C    -0.11    -2.96     1.93     -12.42      -0.02    -2.99     16
  10       C     0.53    16.03     6.50      87.66       0.57    16.60     16
  11       O    -0.57   -25.92    15.16      13.94       0.21   -25.71     16
  12       N    -0.60    -9.62     2.97    -818.89      -2.43   -12.05     16
  13       C     0.09     0.53     6.27      86.36       0.54     1.08     16
  14       C    -0.13    -0.60     6.08      30.67       0.19    -0.41     16
  15       C    -0.12    -0.72     5.17      30.62       0.16    -0.56     16
  16       C    -0.16    -1.40     2.72     -10.71      -0.03    -1.43     16
  17       C     0.41     2.48     8.51      71.98       0.61     3.10     16
  18       O    -0.76   -22.51    17.78    -127.47      -2.27   -24.78     16
  19       O    -0.78   -25.85    17.66    -127.47      -2.25   -28.10     16
  20       C     0.13     1.41     5.70      86.36       0.49     1.90     16
  21       C     0.51    22.46     6.62      87.71       0.58    23.04     16
  22       O    -0.60   -33.06    15.09      13.92       0.21   -32.85     16
  23       H     0.11     5.00     7.86      -2.39      -0.02     4.98     16
  24       H     0.08     4.18     7.20      -2.39      -0.02     4.16     16
  25       H     0.10     2.52     7.92      -2.39      -0.02     2.50     16
  26       H     0.03     1.34     8.14      -2.39      -0.02     1.32     16
  27       H     0.11     1.17     8.12      -2.38      -0.02     1.15     16
  28       H     0.13     1.30     8.14      -2.39      -0.02     1.28     16
  29       H     0.04     1.22     8.09      -2.38      -0.02     1.20     16
  30       H     0.13     1.29     7.80      -2.38      -0.02     1.27     16
  31       H     0.17     2.70     6.27      -2.39      -0.01     2.68     16
  32       H     0.11     0.38     5.10      -2.39      -0.01     0.37     16
  33       H     0.11     0.16     8.14      -2.39      -0.02     0.14     16
  34       H     0.06     0.49     8.14      -2.39      -0.02     0.47     16
  35       H     0.11     0.06     8.14      -2.38      -0.02     0.04     16
  36       H     0.06     0.80     8.14      -2.38      -0.02     0.78     16
  37       H     0.11     0.08     8.14      -2.39      -0.02     0.06     16
  38       H     0.10     1.59     8.14      -2.39      -0.02     1.57     16
  39       H     0.20    -0.79     8.14      -2.39      -0.02    -0.81     16
  40       H     0.17     0.02     8.14      -2.39      -0.02     0.00     16
  41       H     0.33     9.13     8.90     -74.06      -0.66     8.47     16
  42       H     0.32     9.98     8.90     -74.05      -0.66     9.33     16
  43       H     0.13     0.27     8.14      -2.39      -0.02     0.25     16
  44       H     0.09     1.45     7.03      -2.39      -0.02     1.43     16
 Total:         -1.00  -140.44   360.08                 -4.40  -144.85