REAL300024353062.mol2 40                                                        
   1       C    -0.12    -1.25     8.81      71.98       0.63    -0.62     16
   2       C     0.07     1.13     1.09     -10.93      -0.01     1.12     16
   3       C    -0.15    -2.54     8.56      71.98       0.62    -1.92     16
   4       C    -0.09    -0.63     4.67      29.64       0.14    -0.50     16
   5       C    -0.09    -0.88     5.24     -19.66      -0.10    -0.98     16
   6       C    -0.02     0.04     9.72      22.24       0.22     0.26     16
   7       C    -0.10     0.01     9.94      22.45       0.22     0.23     16
   8       C     0.19     2.32     6.28      38.17       0.24     2.56     16
   9       N    -0.64    -7.30     5.34    -303.42      -1.62    -8.92     16
  10       C     0.54    12.53     7.59      87.66       0.67    13.19     16
  11       O    -0.54   -18.31    13.56      -3.06      -0.04   -18.36     16
  12       C    -0.14    -3.49     5.67      71.24       0.40    -3.09     16
  13       S     0.05     1.88    21.45     -56.49      -1.21     0.67     16
  14       C     0.19    10.01     8.33     179.50       1.49    11.50     16
  15       N    -0.37   -17.90    11.98     -56.74      -0.68   -18.58     16
  16       N    -0.57   -30.17     7.39    -184.37      -1.36   -31.54     16
  17       C     0.56    35.58     9.41     179.01       1.68    37.26     16
  18       O    -0.69   -48.12    18.06      -4.75      -0.09   -48.20     16
  19       N    -0.69   -43.75    11.63    -323.76      -3.77   -47.51     16
  20       C    -0.15    -3.79     8.47      22.54       0.19    -3.60     16
  21       C     0.26     6.38     8.12      22.70       0.18     6.57     16
  22       O    -0.80   -40.00    17.84    -127.95      -2.28   -42.29     16
  23       O    -0.44   -14.99    13.61    -127.95      -1.74   -16.73     16
  24       H     0.12     0.23     8.14      -2.39      -0.02     0.21     16
  25       H     0.05     0.76     8.14      -2.39      -0.02     0.74     16
  26       H     0.07     0.74     8.14      -2.39      -0.02     0.72     16
  27       H     0.04     0.80     6.39      -2.39      -0.02     0.78     16
  28       H     0.04     0.86     8.14      -2.38      -0.02     0.84     16
  29       H     0.11     0.72     8.14      -2.39      -0.02     0.70     16
  30       H     0.11     0.61     8.14      -2.39      -0.02     0.59     16
  31       H     0.15    -0.67     8.12      -2.39      -0.02    -0.69     16
  32       H     0.24    -3.22     8.06      -2.91      -0.02    -3.24     16
  33       H     0.22    -2.21     8.06      -2.91      -0.02    -2.24     16
  34       H     0.45     0.57     8.82     -92.70      -0.82    -0.24     16
  35       H     0.15     3.07     8.14      -2.39      -0.02     3.05     16
  36       H     0.14     3.18     8.14      -2.39      -0.02     3.16     16
  37       H     0.42    18.89     8.96    -213.27      -1.91    16.98     16
  38       H     0.14     4.88     6.39      -2.91      -0.02     4.86     16
  39       H     0.31    14.80     9.26     -74.05      -0.69    14.11     16
 Total:         -1.00  -119.26   351.97                 -9.89  -129.14