REAL300017999860.mol2 42                                                        
   1       C    -0.13    -2.28     6.73      71.98       0.48    -1.79     16
   2       C    -0.12    -2.73     0.82     -53.67      -0.04    -2.77     16
   3       C    -0.12    -2.29     8.27      71.98       0.60    -1.70     16
   4       C     0.49    21.07     6.80      71.24       0.48    21.56     16
   5       O    -0.72   -38.55    17.07      19.04       0.33   -38.23     16
   6       O    -0.71   -34.17    15.45      19.08       0.29   -33.87     16
   7       C     0.04     0.53     4.67     -19.84      -0.09     0.44     16
   8       C    -0.08    -0.86     7.92      22.25       0.18    -0.69     16
   9       C    -0.10     0.23     9.90      22.40       0.22     0.45     16
  10       C     0.25    -2.62     6.65      38.22       0.25    -2.37     16
  11       N    -0.52     8.57     5.72    -343.13      -1.96     6.61     16
  12       C     0.13    -2.38     5.03      85.63       0.43    -1.95     16
  13       C    -0.11     0.55     5.26     -19.80      -0.10     0.44     16
  14       C    -0.02    -0.07     9.68      22.24       0.22     0.14     16
  15       C    -0.14    -3.74     9.75      22.49       0.22    -3.52     16
  16       C     0.31    13.31     9.80      22.82       0.22    13.53     16
  17       O    -1.10   -93.72    17.25    -127.47      -2.20   -95.92     16
  18       O    -1.10   -94.41    17.25    -127.47      -2.20   -96.60     16
  19       C    -0.14    -3.54     9.75      22.48       0.22    -3.32     16
  20       C    -0.01    -0.04     9.68      22.24       0.22     0.18     16
  21       C    -0.09     0.97     9.31      22.40       0.21     1.17     16
  22       C    -0.10     0.03     8.97      22.25       0.20     0.23     16
  23       H     0.10     0.71     7.51      -2.39      -0.02     0.69     16
  24       H     0.04     1.07     7.85      -2.39      -0.02     1.05     16
  25       H     0.06     0.99     7.51      -2.39      -0.02     0.98     16
  26       H     0.05     1.08     7.38      -2.39      -0.02     1.06     16
  27       H     0.05     1.13     8.14      -2.39      -0.02     1.11     16
  28       H     0.10     0.99     8.14      -2.39      -0.02     0.97     16
  29       H     0.13     2.28     6.76      -2.91      -0.02     2.26     16
  30       H     0.18    -1.25     8.06      -2.91      -0.02    -1.27     16
  31       H     0.44    -7.37     8.48     -92.71      -0.79    -8.16     16
  32       H     0.18    -4.70     7.90      -2.39      -0.02    -4.71     16
  33       H     0.17    -4.17     7.88      -2.38      -0.02    -4.19     16
  34       H     0.22    -1.47     8.06      -2.91      -0.02    -1.49     16
  35       H     0.14     4.83     7.77      -2.91      -0.02     4.81     16
  36       H     0.23    20.64     8.90     -74.06      -0.66    19.98     16
  37       H     0.23    20.72     8.90     -74.05      -0.66    20.06     16
  38       H     0.14     4.72     7.77      -2.91      -0.02     4.70     16
  39       H     0.22    -2.11     8.06      -2.91      -0.02    -2.14     16
  40       H     0.21    -4.70     6.74      -2.91      -0.02    -4.72     16
  41       H     0.18    -0.55     5.88      -2.91      -0.02    -0.57     16
 Total:         -1.00  -203.32   349.42                 -4.26  -207.58