@<TRIPOS>MOLECULE
REAL300019630901
  44   45    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             6.2653     3.1065    -0.4432 C.3     
   2 N2             5.1235     3.8994    -0.9057 N.am    
   3 C3             3.9211     3.3145    -1.0744 C.2     
   4 O4             2.9758     3.9710    -1.4574 O.2     
   5 C5             3.7510     1.8449    -0.7873 C.3     
   6 C6             2.3014     1.4369    -1.0574 C.3     
   7 C7             2.2125    -0.0864    -1.2044 C.3     
   8 O8             0.8379    -0.4735    -1.2709 O.3     
   9 C9             0.0858    -0.1663    -0.0946 C.3     
  10 C10            0.0656     1.3529     0.1091 C.3     
  11 N11            1.4522     1.8444     0.0732 N.am    
  12 C12            1.9301     2.6445     1.0468 C.2     
  13 O13            3.0484     3.1109     0.9555 O.2     
  14 O14            1.1685     2.9270     2.1204 O.3     
  15 C15            1.7479     3.7954     3.1296 C.3     
  16 C16            2.0917     5.1478     2.5022 C.3     
  17 C17            0.7422     4.0005     4.2643 C.3     
  18 C18            3.0202     3.1530     3.6857 C.3     
  19 C19            5.2815     5.2648    -1.1724 C.2     
  20 N20            4.3454     6.1000    -1.5992 N.2     
  21 N21            4.8869     7.2640    -1.7190 N.pl3   
  22 N22            6.1296     7.1842    -1.3913 N.2     
  23 N23            6.3973     5.9694    -1.0521 N.2     
  24 H24            6.7914     2.6914    -1.3028 H       
  25 H25            6.9434     3.7431     0.1252 H       
  26 H26            5.9105     2.2950     0.1923 H       
  27 H27            3.9955     1.6480     0.2565 H       
  28 H28            4.4163     1.2696    -1.4311 H       
  29 H29            1.9497     1.9150    -1.9717 H       
  30 H30            2.6838    -0.5631    -0.3449 H       
  31 H31            2.7224    -0.3952    -2.1169 H       
  32 H32            0.5493    -0.6433     0.7689 H       
  33 H33           -0.9348    -0.5319    -0.2084 H       
  34 H34           -0.5111     1.8226    -0.6877 H       
  35 H35           -0.3822     1.5879     1.0747 H       
  36 H36            1.1852     5.6055     2.1060 H       
  37 H37            2.5266     5.7998     3.2598 H       
  38 H38            2.8081     5.0017     1.6938 H       
  39 H39            0.4973     3.0370     4.7113 H       
  40 H40            1.1772     4.6524     5.0219 H       
  41 H41           -0.1642     4.4582     3.8681 H       
  42 H42            3.7367     3.0069     2.8774 H       
  43 H43            3.4552     3.8049     4.4433 H       
  44 H44            2.7753     2.1895     4.1327 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   24 1
   3    1   25 1
   4    1   26 1
   5    2    3 am
   6    2   19 1
   7    3    4 2
   8    3    5 1
   9    5    6 1
  10    5   27 1
  11    5   28 1
  12    6   11 1
  13    6    7 1
  14    6   29 1
  15    7    8 1
  16    7   30 1
  17    7   31 1
  18    8    9 1
  19    9   10 1
  20    9   32 1
  21    9   33 1
  22   10   11 1
  23   10   34 1
  24   10   35 1
  25   11   12 am
  26   12   13 2
  27   12   14 1
  28   14   15 1
  29   15   16 1
  30   15   17 1
  31   15   18 1
  32   16   36 1
  33   16   37 1
  34   16   38 1
  35   17   39 1
  36   17   40 1
  37   17   41 1
  38   18   42 1
  39   18   43 1
  40   18   44 1
  41   19   23 1
  42   19   20 2
  43   20   21 1
  44   21   22 1
  45   22   23 2