REAL300019650445.mol2 38                                                        
   1       O    -0.56   -26.82    13.11      10.69       0.14   -26.68     16
   2       C     0.50    15.63     7.45      87.66       0.65    16.28     16
   3       C    -0.14    -2.53     5.39      29.85       0.16    -2.37     16
   4       C     0.10     2.69     3.12      29.79       0.09     2.79     16
   5       O    -0.46   -20.97    13.93    -121.96      -1.70   -22.67     16
   6       O    -0.80   -41.91    18.54    -128.58      -2.38   -44.30     16
   7       C     0.26     5.16    10.28      22.77       0.23     5.39     16
   8       C    -0.12    -0.91    10.09      22.44       0.23    -0.69     16
   9       C    -0.04     0.24    10.04      22.27       0.22     0.47     16
  10       C    -0.06     0.59    10.04      22.34       0.22     0.82     16
  11       C    -0.05     0.18    10.04      22.24       0.22     0.40     16
  12       C    -0.07    -0.90     5.56     -19.69      -0.11    -1.01     16
  13       N    -0.65   -16.37     5.34    -303.59      -1.62   -17.99     16
  14       C     0.14     4.82     6.28      38.12       0.24     5.06     16
  15       C    -0.12    -2.99     9.95      22.43       0.22    -2.76     16
  16       C    -0.08    -2.36    10.03      22.22       0.22    -2.13     16
  17       C    -0.12    -5.21     9.70      22.49       0.22    -4.99     16
  18       C     0.00     0.24     5.87     -20.05      -0.12     0.13     16
  19       C     0.09     6.02     7.93     137.44       1.09     7.11     16
  20       N    -0.38   -26.33    12.15     -52.22      -0.63   -26.97     16
  21       N    -0.21   -14.99    13.45      37.02       0.50   -14.49     16
  22       N    -0.22   -16.06    13.45      37.02       0.50   -15.56     16
  23       N    -0.40   -29.35    12.15     -52.22      -0.63   -29.99     16
  24       C    -0.13    -6.33     8.30      22.60       0.19    -6.14     16
  25       H     0.17     0.47     8.14      -2.39      -0.02     0.45     16
  26       H     0.11     1.89     8.14      -2.39      -0.02     1.87     16
  27       H     0.11     2.83     7.95      -2.39      -0.02     2.81     16
  28       H     0.32    17.21     9.30     -74.06      -0.69    16.52     16
  29       H     0.17     1.39     8.06      -2.91      -0.02     1.37     16
  30       H     0.22    -3.03     8.06      -2.91      -0.02    -3.06     16
  31       H     0.22    -4.03     8.06      -2.91      -0.02    -4.06     16
  32       H     0.22    -2.48     8.06      -2.91      -0.02    -2.51     16
  33       H     0.43     5.28     8.82     -92.70      -0.82     4.46     16
  34       H     0.19     2.24     8.06      -2.91      -0.02     2.22     16
  35       H     0.18     3.16     8.06      -2.91      -0.02     3.14     16
  36       H     0.12     5.18     7.88      -2.91      -0.02     5.16     16
  37       H     0.09     5.47     6.24      -2.91      -0.02     5.45     16
 Total:         -1.00  -142.87   337.02                 -3.59  -146.46