REAL300009850712.mol2 41                                                        
   1       O    -0.72   -46.39    17.33      19.03       0.33   -46.06     16
   2       C     0.47    27.45     8.12      71.24       0.58    28.03     16
   3       O    -0.73   -48.67    18.00      19.07       0.34   -48.32     16
   4       C     0.04     1.46     5.87      85.64       0.50     1.97     16
   5       N    -0.46   -16.25     2.06    -653.76      -1.35   -17.60     16
   6       C     0.18     4.37    10.25      83.56       0.86     5.22     16
   7       C    -0.24    -4.27     9.99      21.99       0.22    -4.05     16
   8       C     0.09     2.01     9.70      22.83       0.22     2.23     16
   9       C    -0.33   -10.47     5.92     -19.79      -0.12   -10.59     16
  10       C     0.59    18.37     7.57      86.56       0.66    19.02     16
  11       O    -0.55   -17.01    13.79      -4.20      -0.06   -17.07     16
  12       N    -0.67   -19.61     5.15    -306.83      -1.58   -21.19     16
  13       C     0.17     3.93     6.28      38.26       0.24     4.17     16
  14       C    -0.13    -2.32     9.69      22.68       0.22    -2.10     16
  15       C    -0.03    -0.41     5.74     -21.25      -0.12    -0.53     16
  16       C    -0.02    -0.19     9.73      22.31       0.22     0.03     16
  17       C    -0.11    -1.59     9.65      22.23       0.21    -1.38     16
  18       C     0.32     6.71     9.78      22.86       0.22     6.93     16
  19       O    -0.74   -26.43    17.20    -127.47      -2.19   -28.62     16
  20       O    -0.75   -27.35    17.19    -127.47      -2.19   -29.54     16
  21       C    -0.07    -1.11     9.49      22.79       0.22    -0.89     16
  22       C    -0.04    -0.57     5.74     -21.29      -0.12    -0.70     16
  23       C    -0.06    -0.98     9.74      22.34       0.22    -0.76     16
  24       C    -0.11    -2.36     8.59      22.16       0.19    -2.17     16
  25       C     0.52    19.71     7.43      85.17       0.63    20.34     16
  26       O    -0.59   -25.25    13.29      -4.96      -0.07   -25.32     16
  27       H     0.10     4.25     7.39      -2.39      -0.02     4.23     16
  28       H     0.14     4.37     8.00      -2.39      -0.02     4.35     16
  29       H     0.20     3.22     8.01      -2.91      -0.02     3.20     16
  30       H     0.20     1.56     8.06      -2.91      -0.02     1.54     16
  31       H     0.17     2.93     7.71      -2.91      -0.02     2.91     16
  32       H     0.43    13.84     5.54     -92.71      -0.51    13.33     16
  33       H     0.16     2.25     8.06      -2.91      -0.02     2.23     16
  34       H     0.22     0.30     8.06      -2.91      -0.02     0.28     16
  35       H     0.18     2.42     7.73      -2.91      -0.02     2.40     16
  36       H     0.33    10.46     8.90     -74.06      -0.66     9.80     16
  37       H     0.33    10.63     8.90     -74.06      -0.66     9.97     16
  38       H     0.18     2.97     7.73      -2.91      -0.02     2.95     16
  39       H     0.17     1.67     8.06      -2.91      -0.02     1.65     16
  40       H     0.14     3.42     6.17      -2.91      -0.02     3.40     16
 Total:         -1.00  -102.94   361.62                 -3.79  -106.74