REAL300009356166.mol2 41                                                        
   1       O    -0.70   -46.71    15.49      19.04       0.29   -46.41     16
   2       C     0.48    29.63     6.04      71.24       0.43    30.06     16
   3       O    -0.73   -50.47    17.97      19.04       0.34   -50.13     16
   4       C     0.05     2.29     3.28      44.51       0.15     2.44     16
   5       C    -0.08    -3.19     6.38      30.39       0.19    -2.99     16
   6       C     0.00    -0.11     7.15      45.17       0.32     0.21     16
   7       C     0.64    17.48     7.81      86.34       0.67    18.15     16
   8       O    -0.54   -17.99    17.17      -4.40      -0.08   -18.06     16
   9       N    -0.60   -10.38     3.33    -816.95      -2.72   -13.10     16
  10       C     0.11     1.09     5.51      86.73       0.48     1.57     16
  11       C    -0.16    -0.81     6.95      31.79       0.22    -0.59     16
  12       C     0.40     4.06     6.78      31.98       0.22     4.27     16
  13       O    -0.77   -23.93    16.52    -127.47      -2.11   -26.04     16
  14       O    -0.75   -22.20    17.78    -127.47      -2.27   -24.46     16
  15       C     0.07     0.94     6.15      86.85       0.53     1.48     16
  16       N    -0.15    -4.81     8.62     -43.41      -0.37    -5.19     16
  17       N    -0.43   -17.81     3.61    -319.36      -1.15   -18.96     16
  18       C     0.21     8.05     6.08      38.25       0.23     8.28     16
  19       C    -0.17    -4.81     9.64      22.41       0.22    -4.59     16
  20       C    -0.08    -1.89    10.04      22.25       0.22    -1.66     16
  21       C    -0.16    -3.85    10.04      22.30       0.22    -3.63     16
  22       C    -0.10    -3.07    10.04      22.25       0.22    -2.85     16
  23       C    -0.17    -7.05     8.19      22.41       0.18    -6.87     16
  24       H     0.10     4.26     8.14      -2.39      -0.02     4.25     16
  25       H     0.12     4.17     8.14      -2.39      -0.02     4.15     16
  26       H     0.08     3.50     7.72      -2.38      -0.02     3.48     16
  27       H     0.11     1.19     7.74      -2.39      -0.02     1.17     16
  28       H     0.11     1.15     7.60      -2.39      -0.02     1.13     16
  29       H     0.16    -0.03     8.14      -2.39      -0.02    -0.05     16
  30       H     0.14     0.79     8.14      -2.39      -0.02     0.77     16
  31       H     0.23     0.29     8.14      -2.39      -0.02     0.27     16
  32       H     0.33     9.39     8.90     -74.06      -0.66     8.73     16
  33       H     0.33     8.97     8.90     -74.06      -0.66     8.31     16
  34       H     0.13     1.92     8.04      -2.39      -0.02     1.90     16
  35       H     0.12     2.09     7.48      -2.38      -0.02     2.07     16
  36       H     0.15     3.37     7.66      -2.91      -0.02     3.34     16
  37       H     0.17     2.29     8.06      -2.91      -0.02     2.27     16
  38       H     0.16     2.59     8.06      -2.91      -0.02     2.57     16
  39       H     0.13     3.72     8.06      -2.91      -0.02     3.70     16
  40       H     0.08     3.89     6.32      -2.91      -0.02     3.87     16
 Total:         -1.00  -102.00   345.81                 -5.15  -107.15