REAL300009850686.mol2 37                                                        
   1       O    -0.71   -49.16    17.21      18.06       0.31   -48.85     16
   2       C     0.51    33.27     8.05      70.46       0.57    33.84     16
   3       O    -0.70   -50.26    17.78      18.05       0.32   -49.94     16
   4       C     0.07     3.45     6.75      41.89       0.28     3.73     16
   5       C    -0.14    -5.68     9.62      22.61       0.22    -5.46     16
   6       C    -0.01    -0.35     9.71      22.72       0.22    -0.13     16
   7       C    -0.19    -4.60     5.90     -19.92      -0.12    -4.72     16
   8       C     0.59    10.63     7.62      86.84       0.66    11.29     16
   9       O    -0.53   -12.19    13.81      -3.81      -0.05   -12.24     16
  10       N    -0.65    -6.15     5.26    -306.01      -1.61    -7.76     16
  11       C     0.17     1.41     6.28      38.27       0.24     1.65     16
  12       C    -0.11    -0.26     9.69      22.68       0.22    -0.04     16
  13       C    -0.03    -0.13     5.74     -21.26      -0.12    -0.26     16
  14       C    -0.01     0.00     9.73      22.31       0.22     0.21     16
  15       C    -0.12    -0.96     9.65      22.23       0.21    -0.74     16
  16       C     0.32     5.25     9.78      22.86       0.22     5.47     16
  17       O    -0.74   -24.23    17.20    -127.47      -2.19   -26.42     16
  18       O    -0.75   -25.84    17.19    -127.47      -2.19   -28.03     16
  19       C    -0.08    -0.91     9.49      22.79       0.22    -0.69     16
  20       C    -0.03    -0.27     5.74     -21.28      -0.12    -0.39     16
  21       C    -0.07    -0.60     9.74      22.33       0.22    -0.39     16
  22       C    -0.11    -1.20     8.59      22.16       0.19    -1.01     16
  23       C     0.13     3.52    10.71      85.15       0.91     4.43     16
  24       N    -0.48   -20.22    10.06    -183.97      -1.85   -22.07     16
  25       H     0.14     5.73     7.62      -2.91      -0.02     5.71     16
  26       H     0.17     3.97     7.73      -2.91      -0.02     3.95     16
  27       H     0.43     1.33     6.89     -92.71      -0.64     0.70     16
  28       H     0.19    -0.96     8.06      -2.91      -0.02    -0.98     16
  29       H     0.22    -2.00     8.06      -2.91      -0.02    -2.02     16
  30       H     0.18     1.43     7.73      -2.91      -0.02     1.40     16
  31       H     0.33     9.62     8.90     -74.06      -0.66     8.97     16
  32       H     0.33     9.96     8.90     -74.06      -0.66     9.30     16
  33       H     0.18     2.27     7.73      -2.91      -0.02     2.25     16
  34       H     0.16     0.81     8.06      -2.91      -0.02     0.79     16
  35       H     0.14     2.05     6.18      -2.91      -0.02     2.03     16
  36       H     0.21     2.74     6.43      -2.91      -0.02     2.72     16
 Total:         -1.00  -108.53   333.58                 -5.18  -113.71