REAL300019841812.mol2 40                                                        
   1       O    -0.56   -26.43    13.82      -3.92      -0.05   -26.49     16
   2       C     0.55    17.77     7.61      86.78       0.66    18.43     16
   3       N    -0.64   -10.60     5.28    -306.03      -1.62   -12.22     16
   4       C     0.19     3.15     6.29      38.19       0.24     3.39     16
   5       C    -0.09    -0.20     9.95      22.45       0.22     0.02     16
   6       C    -0.02     0.01     9.72      22.24       0.22     0.22     16
   7       C    -0.09    -1.00     5.79     -19.66      -0.11    -1.11     16
   8       C    -0.11    -0.66     5.95      29.64       0.18    -0.49     16
   9       C     0.02     0.26     7.08      71.85       0.51     0.77     16
  10       O    -0.44   -16.37    14.34    -127.95      -1.83   -18.20     16
  11       O    -0.86   -50.64    17.84    -127.95      -2.28   -52.92     16
  12       C     0.26     7.47     9.43      22.70       0.21     7.69     16
  13       C    -0.16    -4.94     8.51      22.54       0.19    -4.74     16
  14       C    -0.13    -3.98     5.87     -20.11      -0.12    -4.10     16
  15       C    -0.09    -1.52     9.54      22.55       0.22    -1.30     16
  16       C    -0.08    -1.23    10.02      22.21       0.22    -1.01     16
  17       C    -0.12    -2.96     9.96      22.45       0.22    -2.74     16
  18       C     0.16     6.00     6.38      38.14       0.24     6.24     16
  19       N    -0.63   -28.34     5.48    -189.94      -1.04   -29.38     16
  20       C     0.30    18.03     8.81     260.87       2.30    20.33     16
  21       N    -0.42   -27.49     9.76     -59.00      -0.58   -28.07     16
  22       N    -0.21   -14.68    13.45      37.02       0.50   -14.18     16
  23       N    -0.20   -13.83    13.45      37.02       0.50   -13.33     16
  24       N    -0.43   -27.45    12.48     -59.00      -0.74   -28.19     16
  25       C    -0.12    -4.99     8.38      22.67       0.19    -4.80     16
  26       H     0.45     1.82     6.86     -92.70      -0.64     1.18     16
  27       H     0.22    -2.07     8.06      -2.91      -0.02    -2.09     16
  28       H     0.25    -3.29     8.06      -2.91      -0.02    -3.32     16
  29       H     0.11     0.60     8.14      -2.39      -0.02     0.58     16
  30       H     0.16    -0.98     8.12      -2.38      -0.02    -1.00     16
  31       H     0.18     1.52     8.14      -2.39      -0.02     1.50     16
  32       H     0.09     1.43     8.14      -2.39      -0.02     1.41     16
  33       H     0.30    16.80     9.26     -74.06      -0.69    16.11     16
  34       H     0.13     5.80     6.23      -2.91      -0.02     5.78     16
  35       H     0.18     0.51     6.41      -2.91      -0.02     0.49     16
  36       H     0.19     0.79     8.06      -2.91      -0.02     0.76     16
  37       H     0.16     2.79     8.06      -2.91      -0.02     2.77     16
  38       H     0.42    15.92     8.94     -92.71      -0.83    15.09     16
  39       H     0.09     5.31     5.76      -2.91      -0.02     5.29     16
 Total:         -1.00  -137.68   343.42                 -3.93  -141.60