@<TRIPOS>MOLECULE
REAL300009850752
  47   48    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             0.3423    -0.5236     2.0400 C.3     
   2 C2            -0.8929    -1.3932     2.2828 C.3     
   3 C3            -1.9670    -0.7780     3.1821 C.3     
   4 C4            -0.6866    -2.9079     2.3630 C.3     
   5 C5            -1.5704    -3.6905     3.3363 C.3     
   6 C6             0.7388    -3.4374     2.1942 C.3     
   7 C7            -1.3611    -2.2912     1.1360 C.3     
   8 C8            -2.8450    -2.5017     0.9783 C.2     
   9 O9            -3.2970    -2.8802    -0.0889 O.co2   
  10 O10           -3.5935    -2.2934     1.9179 O.co2   
  11 C11           -0.5704    -2.2515    -0.1463 C.2     
  12 O12           -0.2732    -1.1855    -0.6427 O.2     
  13 N13           -0.1935    -3.4004    -0.7415 N.am    
  14 C14            0.4571    -3.3827    -2.0588 C.3     
  15 C15           -0.3151    -4.3099    -3.0026 C.3     
  16 C16           -0.4202    -5.7005    -2.3721 C.3     
  17 C17           -1.1882    -5.6070    -1.0516 C.3     
  18 C18           -1.3212    -7.0024    -0.4383 C.3     
  19 B19           -2.2111    -7.9005    -1.3691 Du      
  20 O20           -2.7466    -7.3657    -2.5707 O.3     
  21 O21           -2.4805    -9.2475    -1.0095 O.3     
  22 C22           -0.4258    -4.6945    -0.0857 C.3     
  23 H23            0.0473     0.5252     2.0066 H       
  24 H24            1.0574    -0.6743     2.8487 H       
  25 H25            0.8020    -0.8021     1.0918 H       
  26 H26           -2.5792    -1.5711     3.6116 H       
  27 H27           -1.4903    -0.2128     3.9830 H       
  28 H28           -2.5968    -0.1119     2.5924 H       
  29 H29           -1.3153    -4.7491     3.2879 H       
  30 H30           -1.4080    -3.3237     4.3498 H       
  31 H31           -2.6174    -3.5563     3.0647 H       
  32 H32            1.2918    -2.7837     1.5197 H       
  33 H33            1.2348    -3.4616     3.1645 H       
  34 H34            0.7055    -4.4443     1.7780 H       
  35 H35            0.4495    -2.3679    -2.4565 H       
  36 H36            1.4858    -3.7299    -1.9629 H       
  37 H37           -1.3151    -3.9092    -3.1686 H       
  38 H38            0.2115    -4.3809    -3.9543 H       
  39 H39           -0.9479    -6.3688    -3.0525 H       
  40 H40            0.5801    -6.0903    -2.1836 H       
  41 H41           -2.1799    -5.1941    -1.2360 H       
  42 H42           -0.3328    -7.4508    -0.3378 H       
  43 H43           -1.7865    -6.9245     0.5443 H       
  44 H44           -3.2807    -7.9932    -3.0767 H       
  45 H45           -3.0365    -9.7203    -1.6438 H       
  46 H46            0.5301    -5.1511     0.1707 H       
  47 H47           -1.0160    -4.5452     0.8185 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   23 1
   3    1   24 1
   4    1   25 1
   5    2    7 1
   6    2    3 1
   7    2    4 1
   8    3   26 1
   9    3   27 1
  10    3   28 1
  11    4    5 1
  12    4    6 1
  13    4    7 1
  14    5   29 1
  15    5   30 1
  16    5   31 1
  17    6   32 1
  18    6   33 1
  19    6   34 1
  20    7    8 1
  21    7   11 1
  22    8    9 ar
  23    8   10 ar
  24   11   12 2
  25   11   13 am
  26   13   22 1
  27   13   14 1
  28   14   15 1
  29   14   35 1
  30   14   36 1
  31   15   16 1
  32   15   37 1
  33   15   38 1
  34   16   17 1
  35   16   39 1
  36   16   40 1
  37   17   18 1
  38   17   22 1
  39   17   41 1
  40   18   19 1
  41   18   42 1
  42   18   43 1
  43   19   20 1
  44   19   21 1
  45   20   44 1
  46   21   45 1
  47   22   46 1
  48   22   47 1