REAL300018030401.mol2 37                                                        
   1       O    -0.73   -39.11    17.80      17.25       0.31   -38.80     16
   2       C     0.52    24.01     8.02      69.94       0.56    24.57     16
   3       O    -0.72   -37.99    17.03      17.24       0.29   -37.69     16
   4       C    -0.23    -6.08     6.27     -19.05      -0.12    -6.20     16
   5       C     0.21     2.55    11.59      83.78       0.97     3.52     16
   6       N    -0.54    -0.08     5.98    -187.03      -1.12    -1.20     16
   7       C     0.10     0.14     7.25      38.88       0.28     0.42     16
   8       C    -0.06     0.60     9.90      22.51       0.22     0.82     16
   9       C     0.29    -3.01     6.65      38.18       0.25    -2.76     16
  10       N    -0.56     8.91     5.73    -343.06      -1.96     6.95     16
  11       C     0.14    -2.05     5.02      85.63       0.43    -1.62     16
  12       C    -0.10     0.30     5.26     -19.80      -0.10     0.20     16
  13       C    -0.02    -0.08     9.68      22.24       0.22     0.13     16
  14       C    -0.14    -3.70     9.75      22.49       0.22    -3.48     16
  15       C     0.31    13.44     9.80      22.82       0.22    13.66     16
  16       O    -1.10   -94.23    17.25    -127.47      -2.20   -96.43     16
  17       O    -1.10   -94.23    17.25    -127.47      -2.20   -96.43     16
  18       C    -0.14    -3.70     9.75      22.48       0.22    -3.48     16
  19       C    -0.02    -0.08     9.68      22.24       0.22     0.13     16
  20       C    -0.17     0.80     9.29      22.41       0.21     1.01     16
  21       C    -0.01    -0.08     9.84      22.38       0.22     0.14     16
  22       C    -0.07    -1.04     6.27     -20.04      -0.13    -1.16     16
  23       H     0.22     1.88     8.06      -2.91      -0.02     1.86     16
  24       H     0.46    -4.38     8.96     -92.71      -0.83    -5.21     16
  25       H     0.20    -3.71     8.06      -2.91      -0.02    -3.73     16
  26       H     0.44    -7.87     8.47     -92.71      -0.78    -8.66     16
  27       H     0.16    -3.07     7.88      -2.39      -0.02    -3.09     16
  28       H     0.16    -3.07     7.87      -2.39      -0.02    -3.09     16
  29       H     0.22    -1.37     8.06      -2.91      -0.02    -1.40     16
  30       H     0.14     4.86     7.77      -2.91      -0.02     4.83     16
  31       H     0.23    20.66     8.90     -74.06      -0.66    20.00     16
  32       H     0.23    20.66     8.90     -74.06      -0.66    20.00     16
  33       H     0.14     4.86     7.77      -2.91      -0.02     4.83     16
  34       H     0.22    -1.37     8.06      -2.91      -0.02    -1.40     16
  35       H     0.19    -2.31     6.69      -2.91      -0.02    -2.33     16
  36       H     0.13     2.27     7.42      -2.91      -0.02     2.25     16
 Total:         -1.00  -206.70   327.92                 -6.14  -212.84