REAL300009850767.mol2 41                                                        
   1       O    -0.72   -54.77    17.40      25.17       0.44   -54.33     16
   2       C     0.48    32.91     8.13      71.24       0.58    33.49     16
   3       O    -0.73   -54.09    18.00      19.06       0.34   -53.75     16
   4       C     0.02     1.29     6.50      71.24       0.46     1.75     16
   5       O    -0.38   -19.16     9.86    -130.00      -1.28   -20.44     16
   6       C     0.13     4.55     6.00      71.23       0.43     4.98     16
   7       C     0.03     0.89     7.07      25.18       0.18     1.07     16
   8       C    -0.06    -1.97     6.68      40.41       0.27    -1.70     16
   9       C     0.59    18.29     7.67      86.66       0.66    18.96     16
  10       O    -0.56   -20.53    14.21      -4.08      -0.06   -20.59     16
  11       N    -0.60   -12.75     2.97    -821.94      -2.44   -15.19     16
  12       C     0.08     1.57     6.14      86.51       0.53     2.10     16
  13       C    -0.14    -2.15     5.23      30.82       0.16    -1.99     16
  14       C    -0.14    -0.99     1.86     -10.77      -0.02    -1.01     16
  15       C     0.40     2.15     9.01      71.98       0.65     2.80     16
  16       O    -0.72   -19.82    14.55    -127.47      -1.85   -21.67     16
  17       O    -0.81   -27.26    17.78    -127.47      -2.27   -29.52     16
  18       C    -0.11    -0.50     5.36      30.67       0.16    -0.33     16
  19       C     0.11     1.40     6.44      86.36       0.56     1.95     16
  20       N    -0.48   -11.34     7.81    -305.15      -2.38   -13.73     16
  21       C     0.21     3.80    13.19     130.52       1.72     5.52     16
  22       O    -0.19    -5.16    10.73       0.34       0.00    -5.15     16
  23       H     0.08     3.67     8.14      -2.39      -0.02     3.65     16
  24       H     0.07     3.46     8.14      -2.39      -0.02     3.44     16
  25       H     0.09     2.73     8.14      -2.39      -0.02     2.71     16
  26       H     0.10     3.60     6.38      -2.39      -0.02     3.58     16
  27       H     0.08     1.31     8.14      -2.39      -0.02     1.29     16
  28       H     0.13     2.90     4.08     -21.50      -0.09     2.81     16
  29       H     0.06     1.10     8.14      -2.38      -0.02     1.08     16
  30       H     0.10     1.96     5.86      -2.39      -0.01     1.94     16
  31       H     0.13     0.95     8.03      -2.38      -0.02     0.93     16
  32       H     0.17     0.12     8.14      -2.38      -0.02     0.10     16
  33       H     0.20    -1.04     8.14      -2.39      -0.02    -1.06     16
  34       H     0.33     8.68     8.90     -74.06      -0.66     8.02     16
  35       H     0.32    10.03     8.90     -74.06      -0.66     9.37     16
  36       H     0.08     0.60     8.14      -2.39      -0.02     0.58     16
  37       H     0.14    -0.63     8.14      -2.39      -0.02    -0.65     16
  38       H     0.09     1.60     7.00      -2.39      -0.02     1.58     16
  39       H     0.10     0.84     8.14      -2.38      -0.02     0.82     16
  40       H     0.31     1.26     8.06      -2.91      -0.02     1.24     16
 Total:         -1.00  -120.50   341.20                 -4.84  -125.34