REAL300009850771.mol2 42                                                        
   1       O    -0.71   -53.31    17.40      25.18       0.44   -52.87     16
   2       C     0.48    32.02     8.13      71.24       0.58    32.60     16
   3       O    -0.72   -52.26    18.00      19.05       0.34   -51.91     16
   4       C     0.02     1.00     5.30      71.24       0.38     1.38     16
   5       O    -0.32   -15.29     9.67     -73.56      -0.71   -16.00     16
   6       C     0.10     3.56     6.68      22.47       0.15     3.71     16
   7       C    -0.19    -5.73     9.03      22.42       0.20    -5.52     16
   8       C    -0.07    -1.57    10.03      22.22       0.22    -1.35     16
   9       C    -0.11    -2.43     9.65      22.54       0.22    -2.21     16
  10       C    -0.10    -2.67     5.08     -20.10      -0.10    -2.77     16
  11       C     0.57    13.42     7.30      86.79       0.63    14.06     16
  12       O    -0.56   -15.48    16.37      -3.87      -0.06   -15.54     16
  13       N    -0.60   -10.00     2.97    -821.46      -2.44   -12.44     16
  14       C     0.10     1.78     4.96      86.51       0.43     2.21     16
  15       C    -0.14    -1.78     5.23      30.82       0.16    -1.62     16
  16       C    -0.14    -0.60     1.86     -10.77      -0.02    -0.62     16
  17       C     0.40     0.68     9.01      71.98       0.65     1.33     16
  18       O    -0.73   -22.12    14.55    -127.47      -1.85   -23.98     16
  19       O    -0.81   -26.42    17.78    -127.47      -2.27   -28.68     16
  20       C    -0.10     0.17     5.36      30.67       0.16     0.33     16
  21       C     0.11     0.85     6.44      86.36       0.56     1.41     16
  22       C    -0.13    -4.15     7.33      22.63       0.17    -3.98     16
  23       H     0.09     3.82     7.67      -2.38      -0.02     3.81     16
  24       H     0.09     3.87     7.64      -2.38      -0.02     3.85     16
  25       H     0.14     3.91     6.28      -2.91      -0.02     3.89     16
  26       H     0.17     2.42     8.06      -2.91      -0.02     2.40     16
  27       H     0.15     2.75     8.06      -2.91      -0.02     2.72     16
  28       H     0.07     1.43     8.13      -2.39      -0.02     1.41     16
  29       H     0.09     1.99     4.80      -2.39      -0.01     1.97     16
  30       H     0.09     0.86     8.14      -2.39      -0.02     0.84     16
  31       H     0.08     1.81     5.86      -2.39      -0.01     1.80     16
  32       H     0.12     0.89     8.03      -2.38      -0.02     0.87     16
  33       H     0.18    -1.05     8.14      -2.38      -0.02    -1.07     16
  34       H     0.19    -1.73     8.14      -2.39      -0.02    -1.75     16
  35       H     0.33     9.96     8.90     -74.06      -0.66     9.30     16
  36       H     0.32    10.18     8.90     -74.06      -0.66     9.52     16
  37       H     0.10    -0.39     8.14      -2.38      -0.02    -0.41     16
  38       H     0.14    -1.42     8.14      -2.38      -0.02    -1.44     16
  39       H     0.11     1.03     7.00      -2.39      -0.02     1.01     16
  40       H     0.09     0.59     8.14      -2.38      -0.02     0.57     16
  41       H     0.13     4.13     6.72      -2.91      -0.02     4.11     16
 Total:         -1.00  -115.28   343.03                 -3.80  -119.08