@<TRIPOS>MOLECULE
REAL300009850866
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -3.6432     3.9840    -8.7715 C.3     
   2 N2            -2.9452     2.6961    -8.7833 N.pl3   
   3 N3            -2.7998     1.9451    -9.8154 N.2     
   4 C4            -2.1306     0.8509    -9.4999 C.2     
   5 C5            -1.7742    -0.2483   -10.4153 C.2     
   6 O6            -1.1480    -1.2126    -9.9984 O.co2   
   7 O7            -2.1048    -0.1959   -11.5917 O.co2   
   8 C8            -1.8190     0.9278    -8.1265 C.2     
   9 C9            -2.3477     2.1164    -7.6979 C.2     
  10 C10           -2.2897     2.6617    -6.3317 C.2     
  11 O11           -2.6913     3.7878    -6.1089 O.2     
  12 N12           -1.7915     1.9130    -5.3279 N.am    
  13 C13           -1.3780     0.5006    -5.4318 C.3     
  14 C14           -1.4799    -0.0549    -3.9869 C.3     
  15 C15           -1.0402     1.1663    -3.1590 C.3     
  16 C16            0.4339     1.2081    -2.7700 C.3     
  17 C17           -0.0294     1.8063    -1.4285 C.3     
  18 C18            0.7247     1.2518    -0.2183 C.3     
  19 B19            0.2431     1.9894     1.0813 Du      
  20 O20            0.8016     1.6460     2.3409 O.3     
  21 O21           -0.7509     3.0000     0.9972 O.3     
  22 C22           -1.3883     1.1237    -1.6733 C.3     
  23 C23           -1.5691     2.3693    -3.9447 C.3     
  24 H24           -2.9207     4.7901    -8.8989 H       
  25 H25           -4.3668     4.0126    -9.5862 H       
  26 H26           -4.1616     4.1076    -7.8207 H       
  27 H27           -1.2777     0.2024    -7.5372 H       
  28 H28           -2.0506    -0.0432    -6.0951 H       
  29 H29           -0.3517     0.4320    -5.7925 H       
  30 H30           -0.7981    -0.8927    -3.8408 H       
  31 H31           -2.5046    -0.3405    -3.7489 H       
  32 H32            1.0267     1.8948    -3.3741 H       
  33 H33            0.8913     0.2232    -2.6754 H       
  34 H34           -0.0817     2.8951    -1.4316 H       
  35 H35            0.5265     0.1841    -0.1246 H       
  36 H36            1.7945     1.4125    -0.3520 H       
  37 H37            0.4428     2.1535     3.0817 H       
  38 H38           -0.9821     3.3961     1.8484 H       
  39 H39           -1.4505     0.1142    -1.2670 H       
  40 H40           -2.2440     1.7435    -1.4054 H       
  41 H41           -2.5077     2.7140    -3.5108 H       
  42 H42           -0.8349     3.1748    -3.9312 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    8 1
  10    5    6 ar
  11    5    7 ar
  12    8    9 2
  13    8   27 1
  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