REAL300033129728.mol2 42                                                        
   1       C    -0.16    -3.99     9.48      71.98       0.68    -3.30     16
   2       C     0.14     3.68     2.73      44.99       0.12     3.81     16
   3       H     0.09     2.60     7.58      -2.39      -0.02     2.59     16
   4       C     0.12     2.89     5.23      86.38       0.45     3.34     16
   5       N    -0.72   -16.94     5.39    -463.06      -2.49   -19.44     16
   6       C     0.51    13.62     7.71      87.66       0.68    14.29     16
   7       O    -0.57   -20.39    15.44      10.00       0.15   -20.23     16
   8       C    -0.16    -2.90     5.39      29.85       0.16    -2.74     16
   9       C     0.12     2.62     3.12      29.79       0.09     2.71     16
  10       O    -0.46   -17.24    13.97    -122.15      -1.71   -18.95     16
  11       O    -0.78   -34.29    18.54    -128.57      -2.38   -36.68     16
  12       C     0.26     4.60    10.27      22.77       0.23     4.84     16
  13       C    -0.12    -0.78    10.09      22.43       0.23    -0.55     16
  14       C    -0.05     0.21    10.04      22.27       0.22     0.43     16
  15       C    -0.07     0.48    10.04      22.34       0.22     0.70     16
  16       C    -0.06     0.07    10.04      22.24       0.22     0.29     16
  17       C    -0.08    -0.92     5.57     -19.69      -0.11    -1.03     16
  18       N    -0.70   -23.89     4.51    -445.73      -2.01   -25.91     16
  19       C     0.61    28.77     7.77      86.69       0.67    29.44     16
  20       O    -0.55   -30.30    15.38      13.48       0.21   -30.10     16
  21       C    -0.08    -4.23     6.69      41.98       0.28    -3.95     16
  22       N    -0.47   -20.85    10.83     -77.91      -0.84   -21.70     16
  23       S     0.51    21.34    24.20     -56.49      -1.37    19.97     16
  24       N    -0.64   -36.59    12.18    -177.22      -2.16   -38.75     16
  25       C     0.36    22.49     8.19      85.12       0.70    23.19     16
  26       O    -0.73   -54.57    17.64     -73.64      -1.30   -55.87     16
  27       H     0.04     1.33     8.14      -2.39      -0.02     1.31     16
  28       H     0.10     1.86     8.14      -2.38      -0.02     1.84     16
  29       H     0.07     1.61     8.14      -2.39      -0.02     1.59     16
  30       H     0.07     1.74     8.14      -2.39      -0.02     1.73     16
  31       H     0.10     2.05     8.14      -2.39      -0.02     2.04     16
  32       H     0.41     8.90     8.14     -92.70      -0.75     8.14     16
  33       H     0.15     1.17     8.14      -2.39      -0.02     1.15     16
  34       H     0.10     1.96     8.14      -2.39      -0.02     1.94     16
  35       H     0.11     2.40     7.93      -2.39      -0.02     2.38     16
  36       H     0.33    13.91     9.30     -74.06      -0.69    13.22     16
  37       H     0.18     1.06     8.06      -2.91      -0.02     1.04     16
  38       H     0.22    -2.74     8.06      -2.92      -0.02    -2.77     16
  39       H     0.21    -3.17     8.06      -2.91      -0.02    -3.19     16
  40       H     0.21    -1.60     8.06      -2.91      -0.02    -1.62     16
  41       H     0.41    13.04     8.09     -92.71      -0.75    12.29     16
 Total:         -1.00  -121.00   380.71                -11.50  -132.50