REAL300019713108.mol2 42                                                        
   1       O    -0.56   -19.31    13.13       9.97       0.13   -19.18     16
   2       C     0.51    10.90     7.45      87.66       0.65    11.56     16
   3       C    -0.14    -1.54     5.39      29.85       0.16    -1.38     16
   4       C     0.11     1.94     3.12      29.79       0.09     2.03     16
   5       O    -0.46   -15.99    13.97    -122.15      -1.71   -17.69     16
   6       O    -0.79   -33.87    18.54    -128.57      -2.38   -36.26     16
   7       C     0.26     3.57    10.27      22.77       0.23     3.80     16
   8       C    -0.12    -0.33    10.09      22.43       0.23    -0.10     16
   9       C    -0.05     0.42    10.04      22.27       0.22     0.64     16
  10       C    -0.07     0.84    10.04      22.34       0.22     1.06     16
  11       C    -0.06     0.42    10.04      22.24       0.22     0.64     16
  12       C    -0.08    -0.48     5.56     -19.69      -0.11    -0.59     16
  13       N    -0.65   -11.05     5.35    -303.38      -1.62   -12.67     16
  14       C     0.10     2.56     6.28      38.11       0.24     2.80     16
  15       C    -0.09    -3.11     8.65      22.38       0.19    -2.91     16
  16       C    -0.16    -5.82     9.98      22.35       0.22    -5.59     16
  17       C     0.10     3.79     6.69      22.50       0.15     3.94     16
  18       O    -0.34   -15.58    10.12     -93.21      -0.94   -16.52     16
  19       C     0.19     8.27     5.36      71.24       0.38     8.65     16
  20       C     0.05     2.85     7.99     138.58       1.11     3.96     16
  21       N    -0.39   -24.46    12.43     -51.29      -0.64   -25.10     16
  22       N    -0.21   -13.92    13.47      37.02       0.50   -13.42     16
  23       N    -0.21   -13.89    13.47      37.02       0.50   -13.39     16
  24       N    -0.39   -24.32    12.43     -51.29      -0.64   -24.95     16
  25       C    -0.19    -5.23     9.03      22.35       0.20    -5.03     16
  26       C    -0.08    -1.76     9.96      22.38       0.22    -1.54     16
  27       H     0.16    -0.40     8.14      -2.38      -0.02    -0.42     16
  28       H     0.11     1.07     8.14      -2.39      -0.02     1.06     16
  29       H     0.11     2.00     7.93      -2.39      -0.02     1.98     16
  30       H     0.32    13.65     9.30     -74.05      -0.69    12.96     16
  31       H     0.17     0.53     8.06      -2.91      -0.02     0.51     16
  32       H     0.21    -3.59     8.06      -2.91      -0.02    -3.61     16
  33       H     0.21    -4.40     8.06      -2.91      -0.02    -4.43     16
  34       H     0.21    -3.15     8.06      -2.91      -0.02    -3.17     16
  35       H     0.43     2.75     8.82     -92.71      -0.82     1.93     16
  36       H     0.12     4.43     6.41      -2.91      -0.02     4.41     16
  37       H     0.12     4.51     8.06      -2.91      -0.02     4.49     16
  38       H     0.10     3.67     7.65      -2.39      -0.02     3.65     16
  39       H     0.10     3.62     7.67      -2.39      -0.02     3.60     16
  40       H     0.16     3.63     6.29      -2.91      -0.02     3.61     16
  41       H     0.18     1.96     8.06      -2.91      -0.02     1.94     16
 Total:         -1.00  -124.79   367.54                 -3.93  -128.72