REAL300019950706.mol2 39                                                        
   1       O    -0.53    -6.79    16.37       5.35       0.09    -6.71     16
   2       C     0.56     5.72     7.34     -12.21      -0.09     5.63     16
   3       C    -0.12    -0.89     5.15    -104.89      -0.54    -1.43     16
   4       C    -0.02    -0.15     9.62     -39.23      -0.38    -0.53     16
   5       C    -0.11    -0.80     9.74     -39.31      -0.38    -1.19     16
   6       C     0.34     3.24     9.79     -38.76      -0.38     2.86     16
   7       O    -0.67   -10.51    17.23     -57.73      -0.99   -11.50     16
   8       O    -0.66   -10.53    17.23     -57.73      -0.99   -11.53     16
   9       C    -0.11    -0.83     9.74     -39.30      -0.38    -1.21     16
  10       C    -0.05    -0.30     7.39     -39.23      -0.29    -0.59     16
  11       N    -0.60    -6.21     3.00    -173.20      -0.52    -6.73     16
  12       C     0.10     1.06     5.02      -3.36      -0.02     1.04     16
  13       C     0.04     0.66     5.49      -3.46      -0.02     0.64     16
  14       N    -0.53    -8.49     4.62    -235.47      -1.09    -9.58     16
  15       C     0.18     3.38     5.59      -4.98      -0.03     3.35     16
  16       C     0.06     1.50     6.97    -156.73      -1.09     0.41     16
  17       N    -0.38   -10.79    12.43      32.43       0.40   -10.39     16
  18       N    -0.20    -6.06    13.47      60.35       0.81    -5.25     16
  19       N    -0.20    -5.98    13.47      60.35       0.81    -5.17     16
  20       N    -0.39   -10.89    11.52      32.43       0.37   -10.52     16
  21       C     0.04     0.50     5.62      -3.70      -0.02     0.48     16
  22       C     0.12     1.25     6.61      -3.60      -0.02     1.22     16
  23       H     0.17     0.84     8.06     -52.48      -0.42     0.41     16
  24       H     0.18     1.17     7.75     -52.49      -0.41     0.77     16
  25       H     0.33     4.29     8.90      45.56       0.41     4.70     16
  26       H     0.33     4.36     8.90      45.56       0.41     4.77     16
  27       H     0.18     1.29     7.75     -52.49      -0.41     0.88     16
  28       H     0.18     0.84     6.48     -52.49      -0.34     0.50     16
  29       H     0.09     0.92     8.05     -51.93      -0.42     0.50     16
  30       H     0.09     0.76     4.89     -51.93      -0.25     0.51     16
  31       H     0.04     0.54     8.14     -51.93      -0.42     0.12     16
  32       H     0.11     2.01     6.38     -51.93      -0.33     1.68     16
  33       H     0.04     0.74     8.12     -51.93      -0.42     0.31     16
  34       H     0.08     1.46     7.97     -51.93      -0.41     1.05     16
  35       H     0.04     0.44     8.14     -51.93      -0.42     0.02     16
  36       H     0.09     0.98     7.99     -51.93      -0.41     0.56     16
  37       H     0.10     0.98     7.04     -51.93      -0.37     0.62     16
  38       H     0.08     0.85     8.14     -51.93      -0.42     0.42     16
 Total:         -1.00   -39.44   326.13                 -4.49   -43.93