REAL300019841816.mol2 43                                                        
   1       C    -0.16    -2.73     8.55      71.98       0.62    -2.11     16
   2       C     0.07     1.13     1.09     -10.93      -0.01     1.12     16
   3       C    -0.11    -1.17     8.81      71.98       0.63    -0.54     16
   4       C    -0.09    -0.60     4.67      29.63       0.14    -0.46     16
   5       C    -0.09    -0.86     5.26     -19.66      -0.10    -0.97     16
   6       C    -0.02     0.01     9.72      22.24       0.22     0.23     16
   7       C    -0.10    -0.25     9.95      22.45       0.22    -0.03     16
   8       C     0.18     2.66     6.30      38.20       0.24     2.90     16
   9       N    -0.64   -10.50     5.32    -305.83      -1.63   -12.13     16
  10       C     0.58    14.86     7.65      86.85       0.66    15.53     16
  11       O    -0.53   -17.37    13.74      -3.83      -0.05   -17.42     16
  12       C     0.05     1.48     6.75      41.89       0.28     1.76     16
  13       C    -0.10    -2.81     9.61      22.58       0.22    -2.60     16
  14       C    -0.06    -2.16     9.83      22.68       0.22    -1.94     16
  15       C     0.00    -0.07     5.90     -19.92      -0.12    -0.19     16
  16       C     0.08     4.04     7.96     136.94       1.09     5.13     16
  17       N    -0.37   -20.38    12.20     -51.99      -0.63   -21.01     16
  18       N    -0.20   -12.11    13.44      37.02       0.50   -11.61     16
  19       N    -0.21   -12.41    13.44      37.02       0.50   -11.91     16
  20       N    -0.38   -21.39    12.25     -51.99      -0.64   -22.02     16
  21       C     0.13     4.13    10.87      85.15       0.93     5.06     16
  22       N    -0.44   -11.75     9.52    -184.00      -1.75   -13.50     16
  23       C    -0.15    -3.72     8.51      22.54       0.19    -3.53     16
  24       C     0.26     6.25     8.11      22.70       0.18     6.44     16
  25       O    -0.80   -38.45    17.84    -127.95      -2.28   -40.73     16
  26       O    -0.44   -14.13    13.61    -127.95      -1.74   -15.87     16
  27       H     0.04     0.92     8.14      -2.39      -0.02     0.90     16
  28       H     0.11     0.86     8.14      -2.38      -0.02     0.84     16
  29       H     0.03     0.78     6.40      -2.39      -0.02     0.76     16
  30       H     0.07     0.68     8.14      -2.39      -0.02     0.66     16
  31       H     0.12     0.21     8.14      -2.39      -0.02     0.19     16
  32       H     0.05     0.73     8.14      -2.39      -0.02     0.71     16
  33       H     0.15    -0.60     8.12      -2.38      -0.02    -0.62     16
  34       H     0.11     0.48     8.14      -2.39      -0.02     0.46     16
  35       H     0.24    -2.91     8.06      -2.91      -0.02    -2.93     16
  36       H     0.21    -1.27     8.06      -2.91      -0.02    -1.29     16
  37       H     0.45     4.90     8.15     -92.71      -0.76     4.14     16
  38       H     0.16     4.34     7.63      -2.91      -0.02     4.32     16
  39       H     0.15     5.15     7.96      -2.91      -0.02     5.12     16
  40       H     0.18     5.63     7.90      -2.91      -0.02     5.61     16
  41       H     0.15     5.01     6.19      -2.91      -0.02     4.99     16
  42       H     0.31    14.16     9.26     -74.06      -0.69    13.48     16
 Total:         -1.00   -99.24   367.48                 -3.84  -103.08