REAL300020156754.mol2 37                                                        
   1       O    -0.54   -17.64    14.02      -3.81      -0.05   -17.69     16
   2       C     0.55    10.37     7.52      86.85       0.65    11.03     16
   3       N    -0.64    -8.72     5.28    -305.93      -1.62   -10.34     16
   4       C     0.13     3.03     6.28      38.18       0.24     3.27     16
   5       C    -0.13    -2.38     9.96      22.40       0.22    -2.15     16
   6       C    -0.10    -2.19    10.04      22.25       0.22    -1.97     16
   7       C    -0.13    -4.03     9.70      22.29       0.22    -3.81     16
   8       C    -0.07    -2.59     5.11     -19.88      -0.10    -2.70     16
   9       C     0.03     1.37     5.97      29.10       0.17     1.55     16
  10       C     0.07     3.98     7.63     138.33       1.06     5.03     16
  11       N    -0.40   -24.60    12.45     -50.85      -0.63   -25.23     16
  12       N    -0.22   -14.62    13.46      37.02       0.50   -14.12     16
  13       N    -0.22   -14.91    13.46      37.02       0.50   -14.41     16
  14       N    -0.40   -25.08    12.45     -50.85      -0.63   -25.72     16
  15       C    -0.13    -4.18     8.31      22.40       0.19    -4.00     16
  16       C    -0.11    -1.10     5.88     -20.04      -0.12    -1.22     16
  17       C     0.00     0.00     9.53      22.50       0.21     0.21     16
  18       C    -0.09    -0.56     9.74      22.45       0.22    -0.34     16
  19       C     0.35     5.24     9.79      22.80       0.22     5.46     16
  20       O    -0.74   -24.49    17.23    -127.47      -2.20   -26.69     16
  21       O    -0.72   -21.72    17.23    -127.47      -2.20   -23.92     16
  22       C    -0.11    -1.34     9.74      22.45       0.22    -1.13     16
  23       C    -0.01    -0.07     9.58      22.50       0.22     0.15     16
  24       H     0.43     0.63     6.86     -92.71      -0.64    -0.01     16
  25       H     0.17     1.38     8.06      -2.91      -0.02     1.36     16
  26       H     0.16     2.35     8.06      -2.91      -0.02     2.32     16
  27       H     0.12     3.70     8.06      -2.91      -0.02     3.68     16
  28       H     0.08     3.32     8.09      -2.39      -0.02     3.30     16
  29       H     0.10     3.59     8.08      -2.39      -0.02     3.57     16
  30       H     0.11     4.18     6.42      -2.91      -0.02     4.16     16
  31       H     0.22    -1.99     6.40      -2.91      -0.02    -2.01     16
  32       H     0.20     0.75     7.75      -2.91      -0.02     0.73     16
  33       H     0.34     9.56     8.90     -74.06      -0.66     8.90     16
  34       H     0.34     8.85     8.90     -74.06      -0.66     8.19     16
  35       H     0.18     2.50     7.75      -2.91      -0.02     2.48     16
  36       H     0.18     2.42     7.64      -2.91      -0.02     2.40     16
 Total:         -1.00  -104.99   331.31                 -4.66  -109.65