@<TRIPOS>MOLECULE
REAL300019630984
  44   46    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             0.1058     1.3808     0.4598 C.3     
   2 N2            -1.1005     2.2061     0.3597 N.am    
   3 C3            -1.0130     3.4768    -0.0809 C.2     
   4 O4             0.0464     3.9067    -0.4857 O.2     
   5 C5            -2.2315     4.3635    -0.0704 C.3     
   6 C6            -3.0772     4.0827    -1.3141 C.3     
   7 C7            -4.3143     4.9829    -1.3034 C.3     
   8 C8            -3.8779     6.4494    -1.3039 C.3     
   9 O9            -5.0333     7.2902    -1.2940 O.3     
  10 C10           -5.5128     7.6346    -2.5954 C.3     
  11 C11           -6.7451     8.5318    -2.4640 C.3     
  12 C12           -7.1954     9.0109    -3.8576 C.3     
  13 C13           -8.6527     8.5033    -3.9808 C.3     
  14 C14           -9.0476     8.2867    -2.4977 C.3     
  15 O15           -7.8346     7.7857    -1.8959 O.3     
  16 C16           -3.0321     6.7302    -0.0602 C.3     
  17 C17           -1.7951     5.8299    -0.0709 C.3     
  18 C18           -2.3443     1.6747     0.7216 C.2     
  19 N19           -3.5242     2.2624     0.5864 N.2     
  20 N20           -4.4178     1.4516     1.0407 N.pl3   
  21 N21           -3.8389     0.3786     1.4548 N.2     
  22 N22           -2.5676     0.4895     1.2707 N.2     
  23 H23            0.3153     0.9247    -0.5077 H       
  24 H24            0.9489     2.0043     0.7577 H       
  25 H25           -0.0491     0.5996     1.2039 H       
  26 H26           -2.8211     4.1602     0.8235 H       
  27 H27           -2.4876     4.2860    -2.2080 H       
  28 H28           -3.3881     3.0380    -1.3137 H       
  29 H29           -4.9040     4.7796    -0.4095 H       
  30 H30           -4.9169     4.7829    -2.1895 H       
  31 H31           -3.2883     6.6527    -2.1978 H       
  32 H32           -4.7330     8.1660    -3.1410 H       
  33 H33           -5.7803     6.7267    -3.1360 H       
  34 H34           -6.5127     9.3904    -1.8340 H       
  35 H35           -7.1643    10.0989    -3.9155 H       
  36 H36           -6.5690     8.5704    -4.6333 H       
  37 H37           -9.2888     9.2559    -4.4467 H       
  38 H38           -8.6925     7.5657    -4.5354 H       
  39 H39           -9.3433     9.2295    -2.0376 H       
  40 H40           -9.8481     7.5514    -2.4171 H       
  41 H41           -3.6218     6.5269     0.8337 H       
  42 H42           -2.7213     7.7749    -0.0606 H       
  43 H43           -1.1925     6.0300     0.8151 H       
  44 H44           -1.2054     6.0333    -0.9648 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   23 1
   3    1   24 1
   4    1   25 1
   5    2    3 am
   6    2   18 1
   7    3    4 2
   8    3    5 1
   9    5   17 1
  10    5    6 1
  11    5   26 1
  12    6    7 1
  13    6   27 1
  14    6   28 1
  15    7    8 1
  16    7   29 1
  17    7   30 1
  18    8    9 1
  19    8   16 1
  20    8   31 1
  21    9   10 1
  22   10   11 1
  23   10   32 1
  24   10   33 1
  25   11   15 1
  26   11   12 1
  27   11   34 1
  28   12   13 1
  29   12   35 1
  30   12   36 1
  31   13   14 1
  32   13   37 1
  33   13   38 1
  34   14   15 1
  35   14   39 1
  36   14   40 1
  37   16   17 1
  38   16   41 1
  39   16   42 1
  40   17   43 1
  41   17   44 1
  42   18   22 1
  43   18   19 2
  44   19   20 1
  45   20   21 1
  46   21   22 2