REAL300009850778.mol2 41                                                        
   1       O    -0.72   -52.14    17.33      19.06       0.33   -51.81     16
   2       C     0.47    30.81     8.12      71.24       0.58    31.38     16
   3       O    -0.73   -53.13    18.00      19.03       0.34   -52.79     16
   4       C     0.04     1.81     5.88      85.63       0.50     2.32     16
   5       N    -0.46   -19.69     2.06    -653.77      -1.35   -21.04     16
   6       C     0.16     4.59    10.25      83.56       0.86     5.45     16
   7       C    -0.23    -4.83     9.99      21.99       0.22    -4.61     16
   8       C     0.05     1.28     9.50      22.83       0.22     1.49     16
   9       C    -0.31   -11.21     3.81     -19.79      -0.08   -11.29     16
  10       C     0.60    20.73     6.69      86.56       0.58    21.31     16
  11       O    -0.58   -25.69    16.52      -4.21      -0.07   -25.76     16
  12       N    -0.60   -13.10     2.98    -823.98      -2.45   -15.56     16
  13       C     0.11     1.38     6.41      86.22       0.55     1.94     16
  14       C    -0.10    -0.47     5.34      30.53       0.16    -0.30     16
  15       C    -0.14    -0.88     2.06     -10.76      -0.02    -0.90     16
  16       C     0.40     2.03     8.77      71.98       0.63     2.66     16
  17       O    -0.81   -27.04    17.78    -127.47      -2.27   -29.31     16
  18       O    -0.74   -20.04    16.88    -127.47      -2.15   -22.19     16
  19       C    -0.14    -2.04     5.36      30.67       0.16    -1.88     16
  20       C     0.11     1.89     6.24      86.36       0.54     2.43     16
  21       C     0.51    24.05     7.43      85.17       0.63    24.69     16
  22       O    -0.61   -34.69    16.10      -4.94      -0.08   -34.77     16
  23       H     0.09     4.64     7.38      -2.39      -0.02     4.62     16
  24       H     0.14     5.35     8.00      -2.39      -0.02     5.33     16
  25       H     0.19     4.16     8.02      -2.91      -0.02     4.14     16
  26       H     0.21     2.04     8.06      -2.91      -0.02     2.02     16
  27       H     0.18     2.60     8.06      -2.91      -0.02     2.58     16
  28       H     0.09     1.60     6.99      -2.39      -0.02     1.58     16
  29       H     0.11     0.71     8.14      -2.38      -0.02     0.70     16
  30       H     0.15    -0.77     8.14      -2.38      -0.02    -0.78     16
  31       H     0.08     0.61     8.14      -2.39      -0.02     0.59     16
  32       H     0.14     0.83     7.74      -2.39      -0.02     0.81     16
  33       H     0.16     0.29     8.14      -2.39      -0.02     0.27     16
  34       H     0.20    -1.37     8.14      -2.38      -0.02    -1.39     16
  35       H     0.32    10.06     8.90     -74.06      -0.66     9.40     16
  36       H     0.33     8.64     8.90     -74.05      -0.66     7.98     16
  37       H     0.09     1.58     8.14      -2.39      -0.02     1.56     16
  38       H     0.06     1.14     8.14      -2.39      -0.02     1.12     16
  39       H     0.11     1.17     8.14      -2.39      -0.02     1.15     16
  40       H     0.07     1.58     6.15      -2.38      -0.01     1.56     16
 Total:         -1.00  -131.53   346.87                 -3.79  -135.32