REAL300018009596.mol2 42                                                        
   1       O    -0.71   -16.64    18.00      19.03       0.34   -16.30     16
   2       C     0.48     4.05     6.08      71.24       0.43     4.48     16
   3       O    -0.70    -9.44    16.47      19.06       0.31    -9.12     16
   4       C     0.05    -0.67     2.52      43.42       0.11    -0.56     16
   5       N    -0.47    13.83     1.28    -503.37      -0.64    13.19     16
   6       H     0.45   -18.10     8.59     -89.69      -0.77   -18.87     16
   7       H     0.43   -12.13     6.48     -89.70      -0.58   -12.71     16
   8       C     0.05    -1.54     5.21      85.56       0.45    -1.10     16
   9       C    -0.10     3.04     5.36     -19.80      -0.11     2.93     16
  10       C    -0.01     0.15     9.68      22.24       0.22     0.37     16
  11       C    -0.11     1.85     9.75      22.48       0.22     2.07     16
  12       C     0.33    -2.01     9.80      22.83       0.22    -1.78     16
  13       O    -0.75   -14.03    17.25    -127.47      -2.20   -16.23     16
  14       O    -0.74   -12.22    17.25    -127.47      -2.20   -14.42     16
  15       C    -0.12     1.40     9.75      22.48       0.22     1.62     16
  16       C    -0.03     0.56     9.68      22.24       0.22     0.78     16
  17       C    -0.14     1.26     4.84     -19.83      -0.10     1.16     16
  18       C    -0.07     0.65     9.29      22.21       0.21     0.85     16
  19       C    -0.15     0.44    10.06      22.45       0.23     0.67     16
  20       C     0.09     0.07     7.04      22.70       0.16     0.23     16
  21       O    -0.33    -0.91    11.10     -95.09      -1.06    -1.96     16
  22       C     0.04    -0.23     8.01      72.57       0.58     0.35     16
  23       C    -0.11     0.65     7.11      30.73       0.22     0.87     16
  24       C    -0.18     0.43     6.27     -19.52      -0.12     0.31     16
  25       C    -0.04     0.25     9.66      22.16       0.21     0.47     16
  26       H     0.18    -3.59     7.96      -2.39      -0.02    -3.60     16
  27       H     0.13    -2.75     6.67      -2.39      -0.02    -2.76     16
  28       H     0.19    -7.35     8.05      -2.39      -0.02    -7.37     16
  29       H     0.24    -9.68     8.06      -2.92      -0.02    -9.70     16
  30       H     0.18    -2.70     7.77      -2.91      -0.02    -2.73     16
  31       H     0.33     5.27     8.90     -74.05      -0.66     4.61     16
  32       H     0.34     4.76     8.90     -74.06      -0.66     4.10     16
  33       H     0.17    -1.27     7.77      -2.91      -0.02    -1.29     16
  34       H     0.20    -4.69     8.06      -2.91      -0.02    -4.71     16
  35       H     0.16    -2.50     6.74      -2.91      -0.02    -2.52     16
  36       H     0.14    -0.64     8.06      -2.91      -0.02    -0.67     16
  37       H     0.09    -0.81     8.14      -2.39      -0.02    -0.83     16
  38       H     0.12    -0.95     8.14      -2.39      -0.02    -0.97     16
  39       H     0.09    -0.42     8.14      -2.39      -0.02    -0.44     16
  40       H     0.12    -1.27     8.14      -2.39      -0.02    -1.29     16
  41       H     0.15    -1.32     8.04      -2.91      -0.02    -1.34     16
 Total:          0.00   -89.20   354.09                 -5.04   -94.23