REAL300009850667.mol2 38                                                        
   1       O    -0.72   -51.04    17.33      19.06       0.33   -50.71     16
   2       C     0.47    30.17     8.12      71.24       0.58    30.75     16
   3       O    -0.73   -52.80    18.00      19.05       0.34   -52.45     16
   4       C     0.04     1.73     5.88      85.64       0.50     2.24     16
   5       N    -0.46   -18.17     2.06    -653.79      -1.35   -19.52     16
   6       C     0.16     3.97    10.25      83.56       0.86     4.83     16
   7       C    -0.23    -3.44     9.99      21.99       0.22    -3.22     16
   8       C     0.07     1.12     9.47      22.83       0.22     1.33     16
   9       C    -0.32    -9.68     3.83     -19.79      -0.08    -9.76     16
  10       C     0.60    17.74     6.69      86.57       0.58    18.32     16
  11       O    -0.56   -22.73    16.52      -4.20      -0.07   -22.80     16
  12       N    -0.62    -9.50     2.98    -823.99      -2.45   -11.95     16
  13       C     0.14     1.33     6.41      86.22       0.55     1.88     16
  14       C    -0.18    -2.48     5.27      30.53       0.16    -2.32     16
  15       C     0.40     4.94     5.89      30.62       0.18     5.12     16
  16       O    -0.78   -28.46    16.88    -127.47      -2.15   -30.61     16
  17       O    -0.77   -27.91    16.88    -127.47      -2.15   -30.06     16
  18       C    -0.18    -2.30     5.29      30.67       0.16    -2.14     16
  19       C     0.13     0.91     6.23      86.36       0.54     1.45     16
  20       C     0.51    22.15     7.43      85.17       0.63    22.78     16
  21       O    -0.61   -34.12    16.11      -4.93      -0.08   -34.20     16
  22       H     0.09     4.41     7.38      -2.39      -0.02     4.40     16
  23       H     0.15     5.12     8.00      -2.39      -0.02     5.10     16
  24       H     0.19     3.44     8.02      -2.91      -0.02     3.42     16
  25       H     0.21     0.84     8.06      -2.91      -0.02     0.82     16
  26       H     0.19     0.99     8.06      -2.91      -0.02     0.97     16
  27       H     0.11     1.71     6.99      -2.39      -0.02     1.69     16
  28       H     0.16    -0.40     8.14      -2.39      -0.02    -0.42     16
  29       H     0.14     1.71     7.88      -2.39      -0.02     1.69     16
  30       H     0.07     1.61     8.14      -2.39      -0.02     1.59     16
  31       H     0.22    -0.34     8.14      -2.39      -0.02    -0.36     16
  32       H     0.32    11.13     8.90     -74.06      -0.66    10.47     16
  33       H     0.32    11.05     8.90     -74.05      -0.66    10.39     16
  34       H     0.14     1.52     7.88      -2.38      -0.02     1.50     16
  35       H     0.07     1.55     8.14      -2.39      -0.02     1.53     16
  36       H     0.17    -1.08     8.14      -2.39      -0.02    -1.09     16
  37       H     0.12     1.13     6.14      -2.39      -0.01     1.12     16
 Total:         -1.00  -134.17   324.43                 -4.07  -138.24