@<TRIPOS>MOLECULE
REAL300019631167
  47   49    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -1.5898     4.9767    -0.2200 C.3     
   2 N2            -2.5689     4.7918    -1.2940 N.am    
   3 C3            -3.5168     3.8399    -1.1851 C.2     
   4 O4            -4.3273     3.6868    -2.0741 O.2     
   5 C5            -3.5695     2.9658     0.0413 C.3     
   6 C6            -4.4191     1.6949    -0.0325 C.3     
   7 C7            -2.8947     1.5973    -0.0380 C.3     
   8 C8            -2.2072     1.0659     1.2230 C.3     
   9 C9            -0.7429     1.5192     1.2222 C.3     
  10 C10           -0.0543     1.0109    -0.0472 C.3     
  11 N11           -0.7736     1.5144    -1.2243 N.am    
  12 C12           -0.1322     2.2344    -2.1660 C.2     
  13 O13           -0.7394     2.6451    -3.1351 O.2     
  14 O14            1.1812     2.4987    -2.0329 O.3     
  15 C15            1.8065     3.2795    -3.0854 C.3     
  16 C16            1.1207     4.6436    -3.1844 C.3     
  17 C17            3.2890     3.4763    -2.7622 C.3     
  18 C18            1.6687     2.5415    -4.4185 C.3     
  19 C19           -2.2087     1.2165    -1.3551 C.3     
  20 C20           -2.5204     5.5963    -2.4227 C.2     
  21 N21           -3.3343     5.5411    -3.4749 N.2     
  22 N22           -2.9589     6.4541    -4.3042 N.2     
  23 N23           -1.9399     7.0731    -3.8192 N.2     
  24 N24           -1.6473     6.5710    -2.6683 N.pl3   
  25 H25           -0.7205     4.3468    -0.4084 H       
  26 H26           -1.2809     6.0215    -0.1859 H       
  27 H27           -2.0396     4.6996     0.7334 H       
  28 H28           -3.5310     3.4914     0.9954 H       
  29 H29           -4.9400     1.4913    -0.9681 H       
  30 H30           -4.9401     1.3844     0.8732 H       
  31 H31           -2.7103     1.4597     2.1061 H       
  32 H32           -2.2533    -0.0231     1.2322 H       
  33 H33           -0.2355     1.1144     2.0979 H       
  34 H34           -0.6996     2.6081     1.2479 H       
  35 H35           -0.0627    -0.0791    -0.0542 H       
  36 H36            0.9756     1.3670    -0.0701 H       
  37 H37            1.2188     5.1694    -2.2346 H       
  38 H38            1.5900     5.2298    -3.9744 H       
  39 H39            0.0645     4.5034    -3.4146 H       
  40 H40            3.7776     2.5045    -2.6917 H       
  41 H41            3.7583     4.0625    -3.5523 H       
  42 H42            3.3871     4.0021    -1.8125 H       
  43 H43            0.6125     2.4013    -4.6487 H       
  44 H44            2.1380     3.1276    -5.2085 H       
  45 H45            2.1573     1.5697    -4.3479 H       
  46 H46           -2.6327     1.7989    -2.1730 H       
  47 H47           -2.3478     0.1530    -1.5496 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   25 1
   3    1   26 1
   4    1   27 1
   5    2    3 am
   6    2   20 1
   7    3    4 2
   8    3    5 1
   9    5    7 1
  10    5    6 1
  11    5   28 1
  12    6    7 1
  13    6   29 1
  14    6   30 1
  15    7   19 1
  16    7    8 1
  17    8    9 1
  18    8   31 1
  19    8   32 1
  20    9   10 1
  21    9   33 1
  22    9   34 1
  23   10   11 1
  24   10   35 1
  25   10   36 1
  26   11   12 am
  27   11   19 1
  28   12   13 2
  29   12   14 1
  30   14   15 1
  31   15   16 1
  32   15   17 1
  33   15   18 1
  34   16   37 1
  35   16   38 1
  36   16   39 1
  37   17   40 1
  38   17   41 1
  39   17   42 1
  40   18   43 1
  41   18   44 1
  42   18   45 1
  43   19   46 1
  44   19   47 1
  45   20   24 1
  46   20   21 2
  47   21   22 1
  48   22   23 2
  49   23   24 1