REAL300019969677.mol2 39                                                        
   1       O    -0.56   -24.90    13.11      10.64       0.14   -24.76     16
   2       C     0.50    14.55     7.45      87.66       0.65    15.21     16
   3       C    -0.14    -2.27     5.40      29.85       0.16    -2.11     16
   4       C     0.11     2.51     3.12      29.79       0.09     2.60     16
   5       O    -0.46   -19.60    13.93    -121.96      -1.70   -21.30     16
   6       O    -0.79   -39.53    18.54    -128.58      -2.38   -41.92     16
   7       C     0.26     4.75    10.28      22.77       0.23     4.99     16
   8       C    -0.12    -0.77    10.09      22.44       0.23    -0.55     16
   9       C    -0.04     0.28    10.04      22.27       0.22     0.50     16
  10       C    -0.07     0.65    10.04      22.34       0.22     0.87     16
  11       C    -0.06     0.23    10.04      22.24       0.22     0.45     16
  12       C    -0.07    -0.80     5.57     -19.69      -0.11    -0.91     16
  13       N    -0.65   -15.27     5.34    -303.55      -1.62   -16.89     16
  14       C     0.17     5.56     6.28      38.14       0.24     5.80     16
  15       C    -0.14    -3.59     9.96      22.41       0.22    -3.37     16
  16       C    -0.06    -1.89    10.03      22.23       0.22    -1.66     16
  17       C    -0.19    -8.63     9.40      22.41       0.21    -8.42     16
  18       C     0.16     8.65     6.69      38.09       0.25     8.90     16
  19       N    -0.45   -28.91     3.80    -316.30      -1.20   -30.11     16
  20       N    -0.09    -5.98    12.85      37.02       0.48    -5.51     16
  21       N    -0.06    -3.84    13.66      37.02       0.51    -3.34     16
  22       N    -0.54   -37.79    12.93    -184.04      -2.38   -40.17     16
  23       C     0.54    37.42     9.05     178.88       1.62    39.04     16
  24       O    -0.63   -43.78    15.32      -4.70      -0.07   -43.86     16
  25       C    -0.16    -7.89     8.27      22.51       0.19    -7.70     16
  26       H     0.17     0.24     8.14      -2.38      -0.02     0.22     16
  27       H     0.11     1.69     8.14      -2.38      -0.02     1.67     16
  28       H     0.11     2.61     7.95      -2.39      -0.02     2.59     16
  29       H     0.32    16.27     9.30     -74.06      -0.69    15.58     16
  30       H     0.17     1.18     8.06      -2.91      -0.02     1.16     16
  31       H     0.22    -3.13     8.06      -2.91      -0.02    -3.16     16
  32       H     0.22    -4.08     8.06      -2.91      -0.02    -4.10     16
  33       H     0.21    -2.62     8.06      -2.91      -0.02    -2.65     16
  34       H     0.44     4.73     8.82     -92.71      -0.82     3.91     16
  35       H     0.19     2.38     8.06      -2.91      -0.02     2.36     16
  36       H     0.17     3.78     8.06      -2.91      -0.02     3.75     16
  37       H     0.12     6.47     5.52      -2.91      -0.02     6.46     16
  38       H     0.11     5.97     6.06      -2.91      -0.02     5.96     16
 Total:         -1.00  -135.37   343.45                 -5.09  -140.46