REAL300009850843.mol2 41                                                        
   1       O    -0.72   -49.92    17.31      17.90       0.31   -49.61     16
   2       C     0.51    32.37     8.02      70.34       0.56    32.93     16
   3       O    -0.71   -48.27    17.27      17.91       0.31   -47.96     16
   4       C    -0.19    -9.41     5.89     -19.95      -0.12    -9.52     16
   5       C    -0.05    -1.93     9.71      22.75       0.22    -1.71     16
   6       C    -0.12    -4.16     9.62      22.57       0.22    -3.95     16
   7       C     0.07     2.31     6.73      41.96       0.28     2.59     16
   8       C     0.59    17.94     7.85      86.95       0.68    18.62     16
   9       O    -0.57   -20.08    16.64      -3.64      -0.06   -20.14     16
  10       N    -0.60   -12.93     3.34    -815.40      -2.72   -15.65     16
  11       C     0.09     1.43     5.94      86.92       0.52     1.94     16
  12       C    -0.11    -0.65     6.44      31.65       0.20    -0.45     16
  13       C    -0.09    -0.43     0.92     -52.12      -0.05    -0.48     16
  14       C    -0.06     0.21     6.89      30.77       0.21     0.43     16
  15       C    -0.18    -0.18     4.25     -10.12      -0.04    -0.23     16
  16       C     0.41    -0.06     8.98      71.98       0.65     0.59     16
  17       O    -0.79   -24.34    17.78    -127.47      -2.27   -26.60     16
  18       O    -0.76   -21.70    17.78    -127.47      -2.27   -23.97     16
  19       C    -0.11    -0.44     6.98      30.83       0.22    -0.23     16
  20       C     0.12     1.81     6.23      86.25       0.54     2.34     16
  21       N    -0.44   -14.86     6.57    -183.78      -1.21   -16.07     16
  22       C     0.14     5.47    10.76      85.15       0.92     6.39     16
  23       H     0.14     6.03     7.72      -2.91      -0.02     6.00     16
  24       H     0.16     5.06     7.63      -2.91      -0.02     5.04     16
  25       H     0.09     1.91     5.90      -2.39      -0.01     1.90     16
  26       H     0.08     1.14     8.14      -2.39      -0.02     1.12     16
  27       H     0.13    -0.14     7.98      -2.39      -0.02    -0.16     16
  28       H     0.08     0.63     8.14      -2.38      -0.02     0.61     16
  29       H     0.11    -0.26     8.04      -2.39      -0.02    -0.28     16
  30       H     0.15    -1.79     7.99      -2.39      -0.02    -1.81     16
  31       H     0.12     0.77     8.14      -2.39      -0.02     0.75     16
  32       H     0.19    -1.72     7.88      -2.39      -0.02    -1.73     16
  33       H     0.18    -1.49     8.14      -2.39      -0.02    -1.51     16
  34       H     0.32     9.40     8.90     -74.06      -0.66     8.74     16
  35       H     0.33     8.94     8.90     -74.06      -0.66     8.28     16
  36       H     0.13    -0.04     7.92      -2.38      -0.02    -0.06     16
  37       H     0.06     0.66     8.01      -2.38      -0.02     0.64     16
  38       H     0.06     1.15     7.99      -2.39      -0.02     1.13     16
  39       H     0.08     1.11     7.89      -2.38      -0.02     1.09     16
  40       H     0.18     6.83     7.65      -2.91      -0.02     6.80     16
 Total:         -1.00  -109.64   344.87                 -4.53  -114.17