REAL300009850706.mol2 37                                                        
   1       O    -0.71   -46.99    16.62      19.03       0.32   -46.68     16
   2       C     0.47    27.37     8.09      71.23       0.58    27.94     16
   3       O    -0.73   -47.63    18.00      19.05       0.34   -47.29     16
   4       C     0.06     2.49     7.10      85.63       0.61     3.10     16
   5       N    -0.33   -12.36     3.41    -350.82      -1.20   -13.55     16
   6       C     0.10     2.86    11.27      83.86       0.95     3.80     16
   7       C    -0.13    -3.87     6.99      40.81       0.29    -3.58     16
   8       C     0.63    14.40     7.65      86.68       0.66    15.06     16
   9       O    -0.53   -13.34    14.26      -4.03      -0.06   -13.39     16
  10       N    -0.65   -10.44     5.30    -306.46      -1.63   -12.06     16
  11       C     0.17     2.12     6.28      38.26       0.24     2.36     16
  12       C    -0.12    -0.70     9.69      22.68       0.22    -0.48     16
  13       C    -0.03    -0.20     5.74     -21.25      -0.12    -0.32     16
  14       C    -0.01    -0.03     9.73      22.31       0.22     0.19     16
  15       C    -0.12    -1.08     9.65      22.23       0.21    -0.87     16
  16       C     0.32     5.54     9.78      22.86       0.22     5.76     16
  17       O    -0.74   -24.68    17.20    -127.47      -2.19   -26.87     16
  18       O    -0.75   -26.17    17.19    -127.47      -2.19   -28.36     16
  19       C    -0.07    -0.95     9.49      22.79       0.22    -0.74     16
  20       C    -0.03    -0.33     5.74     -21.28      -0.12    -0.45     16
  21       C    -0.07    -0.70     9.74      22.33       0.22    -0.48     16
  22       C    -0.11    -1.50     8.58      22.16       0.19    -1.31     16
  23       N    -0.22    -7.72    12.04     -50.00      -0.60    -8.33     16
  24       N    -0.07    -3.18    12.88      37.02       0.48    -2.70     16
  25       H     0.13     4.33     8.14      -2.39      -0.02     4.31     16
  26       H     0.15     4.54     8.08      -2.38      -0.02     4.52     16
  27       H     0.24     4.62     8.06      -2.91      -0.02     4.60     16
  28       H     0.43     5.77     8.51     -92.71      -0.79     4.98     16
  29       H     0.18    -0.09     8.06      -2.91      -0.02    -0.12     16
  30       H     0.22    -1.53     8.06      -2.91      -0.02    -1.55     16
  31       H     0.18     1.60     7.73      -2.91      -0.02     1.58     16
  32       H     0.33     9.79     8.90     -74.06      -0.66     9.13     16
  33       H     0.33    10.10     8.90     -74.06      -0.66     9.44     16
  34       H     0.18     2.42     7.73      -2.91      -0.02     2.39     16
  35       H     0.16     1.01     8.06      -2.91      -0.02     0.99     16
  36       H     0.14     2.44     6.18      -2.91      -0.02     2.42     16
 Total:         -1.00  -102.09   338.85                 -4.46  -106.55