@<TRIPOS>MOLECULE
REAL300009850845
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -0.2138     2.9132    -8.0468 C.3     
   2 N2            -1.4412     2.2238    -8.4523 N.pl3   
   3 N3            -1.6890     1.6642    -9.7106 N.2     
   4 C4            -2.8856     1.1376    -9.7179 C.2     
   5 C5            -3.4626     1.3326    -8.4499 C.2     
   6 C6            -4.8042     0.8962    -8.0215 C.2     
   7 O7            -5.5324     0.3012    -8.8035 O.co2   
   8 O8            -5.1889     1.1292    -6.8842 O.co2   
   9 C9            -2.5264     2.0166    -7.6738 C.2     
  10 C10           -2.6923     2.4396    -6.2697 C.2     
  11 O11           -3.3163     3.4498    -6.0089 O.2     
  12 N12           -2.1520     1.7060    -5.2765 N.am    
  13 C13           -1.4670     0.4096    -5.4397 C.3     
  14 C14           -1.5901    -0.2861    -4.0585 C.3     
  15 C15           -1.4698     0.9134    -3.1011 C.3     
  16 C16           -0.0726     1.1897    -2.5561 C.3     
  17 C17           -0.7613     1.5661    -1.2309 C.3     
  18 C18           -0.0269     1.0506     0.0084 C.3     
  19 B19           -0.7565     1.5638     1.3004 Du      
  20 O20           -0.3794     2.8021     1.8842 O.3     
  21 O21           -1.7935     0.7897     1.8851 O.3     
  22 C22           -1.9358     0.6706    -1.6678 C.3     
  23 C23           -2.1471     2.0658    -3.8478 C.3     
  24 H24            0.5206     2.1808    -7.7116 H       
  25 H25            0.1877     3.4688    -8.8943 H       
  26 H26           -0.4366     3.6031    -7.2328 H       
  27 H27           -3.3513     0.6377   -10.5543 H       
  28 H28           -1.9599    -0.1852    -6.2087 H       
  29 H29           -0.4184     0.5645    -5.6937 H       
  30 H30           -0.7759    -0.9940    -3.9031 H       
  31 H31           -2.5579    -0.7761    -3.9522 H       
  32 H32            0.4292     2.0266    -3.0418 H       
  33 H33            0.5553     0.3014    -2.4862 H       
  34 H34           -1.0214     2.6222    -1.1594 H       
  35 H35           -0.0237    -0.0394     0.0017 H       
  36 H36            0.9997     1.4170     0.0010 H       
  37 H37           -0.8845     3.0338     2.6756 H       
  38 H38           -2.1823     1.1868     2.6764 H       
  39 H39           -1.8392    -0.3662    -1.3458 H       
  40 H40           -2.9154     1.0949    -1.4473 H       
  41 H41           -3.1698     2.1903    -3.4916 H       
  42 H42           -1.5858     2.9880    -3.6973 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   24 1
   3    1   25 1
   4    1   26 1
   5    2    9 1
   6    2    3 1
   7    3    4 2
   8    4    5 1
   9    4   27 1
  10    5    6 1
  11    5    9 2
  12    6    7 ar
  13    6    8 ar
  14    9   10 1
  15   10   11 2
  16   10   12 am
  17   12   23 1
  18   12   13 1
  19   13   14 1
  20   13   28 1
  21   13   29 1
  22   14   15 1
  23   14   30 1
  24   14   31 1
  25   15   22 1
  26   15   16 1
  27   15   23 1
  28   16   17 1
  29   16   32 1
  30   16   33 1
  31   17   18 1
  32   17   22 1
  33   17   34 1
  34   18   19 1
  35   18   35 1
  36   18   36 1
  37   19   20 1
  38   19   21 1
  39   20   37 1
  40   21   38 1
  41   22   39 1
  42   22   40 1
  43   23   41 1
  44   23   42 1