@<TRIPOS>MOLECULE
REAL300019630701
  53   55    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             0.0345     3.1865    -4.7157 C.3     
   2 N2             1.2572     2.3868    -4.8235 N.am    
   3 C3             1.8320     1.8814    -3.7141 C.2     
   4 O4             2.8442     1.2193    -3.8034 O.2     
   5 C5             1.2168     2.1390    -2.3627 C.3     
   6 C6             2.1077     1.5376    -1.2738 C.3     
   7 C7             3.5035     2.1588    -1.3561 C.3     
   8 N8             3.4015     3.6117    -1.1980 N.am    
   9 C9             4.5190     4.3610    -1.1187 C.2     
  10 O10            5.6110     3.8315    -1.1784 O.2     
  11 O11            4.4252     5.6962    -0.9734 O.3     
  12 C12            5.6699     6.4398    -0.8950 C.3     
  13 C13            5.3690     7.9077    -0.7348 C.ar    
  14 C14            5.2342     8.7114    -1.8514 C.ar    
  15 C15            4.9533    10.0570    -1.7046 C.ar    
  16 C16            4.8176    10.6009    -0.4410 C.ar    
  17 C17            4.9576     9.7982     0.6757 C.ar    
  18 C18            5.2333     8.4516     0.5288 C.ar    
  19 C19            1.5004     1.8280     0.1001 C.3     
  20 C20            0.1046     1.2069     0.1823 C.3     
  21 C21            0.2069    -0.3062    -0.0205 C.3     
  22 C22            0.8143    -0.5966    -1.3945 C.3     
  23 C23            2.2101     0.0246    -1.4767 C.3     
  24 C24            1.8287     2.1474    -6.0791 C.2     
  25 N25            2.9289     1.4516    -6.3268 N.2     
  26 N26            3.1175     1.4617    -7.6022 N.pl3   
  27 N27            2.1801     2.1463    -8.1594 N.2     
  28 N28            1.3768     2.5779    -7.2480 N.2     
  29 H29            0.2973     4.2374    -4.5938 H       
  30 H30           -0.5611     3.0635    -5.6202 H       
  31 H31           -0.5423     2.8538    -3.8527 H       
  32 H32            0.2295     1.6794    -2.3193 H       
  33 H33            1.1247     3.2135    -2.2043 H       
  34 H34            4.1303     1.7502    -0.5635 H       
  35 H35            3.9469     1.9290    -2.3249 H       
  36 H36            2.5297     4.0344    -1.1503 H       
  37 H37            6.2477     6.0918    -0.0387 H       
  38 H38            6.2442     6.2842    -1.8082 H       
  39 H39            5.3446     8.2874    -2.8385 H       
  40 H40            4.8443    10.6842    -2.5770 H       
  41 H41            4.6026    11.6530    -0.3262 H       
  42 H42            4.8519    10.2231     1.6629 H       
  43 H43            5.3430     7.8245     1.4012 H       
  44 H44            1.4274     2.9060     0.2446 H       
  45 H45            2.1350     1.3996     0.8758 H       
  46 H46           -0.5301     1.6353    -0.5934 H       
  47 H47           -0.3281     1.4138     1.1612 H       
  48 H48            0.8416    -0.7346     0.7552 H       
  49 H49           -0.7875    -0.7487     0.0381 H       
  50 H50            0.8872    -1.6745    -1.5390 H       
  51 H51            0.1796    -0.1681    -2.1702 H       
  52 H52            2.8447    -0.4039    -0.7010 H       
  53 H53            2.6427    -0.1823    -2.4555 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   29 1
   3    1   30 1
   4    1   31 1
   5    2    3 am
   6    2   24 1
   7    3    4 2
   8    3    5 1
   9    5    6 1
  10    5   32 1
  11    5   33 1
  12    6   23 1
  13    6    7 1
  14    6   19 1
  15    7    8 1
  16    7   34 1
  17    7   35 1
  18    8    9 am
  19    8   36 1
  20    9   10 2
  21    9   11 1
  22   11   12 1
  23   12   13 1
  24   12   37 1
  25   12   38 1
  26   13   18 ar
  27   13   14 ar
  28   14   15 ar
  29   14   39 1
  30   15   16 ar
  31   15   40 1
  32   16   17 ar
  33   16   41 1
  34   17   18 ar
  35   17   42 1
  36   18   43 1
  37   19   20 1
  38   19   44 1
  39   19   45 1
  40   20   21 1
  41   20   46 1
  42   20   47 1
  43   21   22 1
  44   21   48 1
  45   21   49 1
  46   22   23 1
  47   22   50 1
  48   22   51 1
  49   23   52 1
  50   23   53 1
  51   24   28 1
  52   24   25 2
  53   25   26 1
  54   26   27 1
  55   27   28 2