REAL300018574246.mol2 49                                                        
   1       O    -0.72   -37.13    16.60      19.07       0.32   -36.81     16
   2       C     0.50    21.65     7.82      71.24       0.56    22.20     16
   3       O    -0.74   -38.93    17.98      19.05       0.34   -38.59     16
   4       C    -0.21    -4.20     1.62     -54.63      -0.09    -4.29     16
   5       C    -0.14    -0.71     7.27      30.57       0.22    -0.49     16
   6       C     0.07    -0.75     2.07     -14.76      -0.03    -0.78     16
   7       C     0.06    -2.05     5.67      86.30       0.49    -1.56     16
   8       N    -0.51    19.39     1.74    -517.93      -0.90    18.49     16
   9       H     0.43   -13.71     8.50     -89.70      -0.76   -14.47     16
  10       H     0.45   -19.43     8.52     -89.69      -0.76   -20.20     16
  11       C     0.04    -1.54     5.17      85.56       0.44    -1.10     16
  12       C    -0.13     4.76     5.38     -19.65      -0.11     4.65     16
  13       C    -0.03     1.15     9.66      22.24       0.21     1.37     16
  14       C    -0.10     3.58    10.04      22.33       0.22     3.80     16
  15       C    -0.05     1.64    10.03      22.24       0.22     1.86     16
  16       C    -0.13     3.37     9.86      22.48       0.22     3.59     16
  17       C     0.21    -5.44     8.80      22.82       0.20    -5.24     16
  18       O    -0.63    -1.68    17.89    -127.47      -2.28    -3.96     16
  19       O    -0.63     2.99    16.81    -127.47      -2.14     0.85     16
  20       C    -0.13    -0.68     7.27      29.37       0.21    -0.47     16
  21       O    -0.33     1.72    10.70    -148.98      -1.59     0.13     16
  22       C     0.16     2.05     3.28      31.18       0.10     2.15     16
  23       C    -0.10    -1.44     4.87     -19.87      -0.10    -1.54     16
  24       C    -0.11    -0.66     8.20      22.27       0.18    -0.48     16
  25       C    -0.13    -0.67    10.05      22.27       0.22    -0.45     16
  26       C    -0.13    -1.19    10.05      22.27       0.22    -0.97     16
  27       C    -0.14    -2.20    10.05      22.27       0.22    -1.97     16
  28       C    -0.11    -2.33     8.96      22.27       0.20    -2.13     16
  29       H     0.10     0.79     7.89      -2.39      -0.02     0.77     16
  30       H     0.08     0.31     5.30      -2.39      -0.01     0.29     16
  31       H     0.20    -8.21     8.14      -2.39      -0.02    -8.23     16
  32       H     0.17    -5.45     8.14      -2.39      -0.02    -5.47     16
  33       H     0.21   -11.48     7.94      -2.39      -0.02   -11.50     16
  34       H     0.15    -5.79     4.90      -2.39      -0.01    -5.80     16
  35       H     0.22   -10.90     8.00      -2.91      -0.02   -10.92     16
  36       H     0.19    -7.30     8.06      -2.91      -0.02    -7.32     16
  37       H     0.18    -6.03     8.06      -2.91      -0.02    -6.06     16
  38       H     0.16    -3.83     8.06      -2.91      -0.02    -3.85     16
  39       H     0.33    -2.25     8.81     -74.06      -0.65    -2.90     16
  40       H     0.33    -5.72     6.72     -74.06      -0.50    -6.21     16
  41       H     0.08     0.39     8.10      -2.38      -0.02     0.37     16
  42       H     0.11     0.60     7.88      -2.39      -0.02     0.58     16
  43       H     0.08     1.41     8.09      -2.39      -0.02     1.39     16
  44       H     0.15    -0.62     5.89      -2.91      -0.02    -0.64     16
  45       H     0.16    -0.45     8.06      -2.91      -0.02    -0.48     16
  46       H     0.14     0.54     8.06      -2.91      -0.02     0.51     16
  47       H     0.13     1.64     8.06      -2.91      -0.02     1.61     16
  48       H     0.10     2.43     8.06      -2.91      -0.02     2.40     16
 Total:          0.00  -132.38   397.07                 -5.46  -137.84