@<TRIPOS>MOLECULE
BindingDB_50391357
 18 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        62.0783   52.8867   19.0926  N     
2    C        61.4357   53.8019   18.3319  C     
3    N        63.5223   54.4777   18.6604  N     
4    C        63.3382   53.3109   19.2900  C     
5    C        62.3681   54.8052   18.0700  C     
6    N        57.4071   53.5103   17.0730  N     
7    C        60.0787   53.7174   17.8884  C     
8    C        57.9383   52.5291   17.8442  C     
9    C        58.1278   54.5885   16.6807  C     
10   C        59.2787   52.6126   18.2681  C     
11   C        59.4719   54.7118   17.0713  C     
12   H        64.3512   54.9876   18.6259  H     
13   H        64.0558   52.8217   19.8269  H     
14   H        62.2264   55.6455   17.5139  H     
15   H        57.3533   51.7365   18.1170  H     
16   H        57.6834   55.3131   16.1124  H     
17   H        59.6562   51.8675   18.8583  H     
18   H        59.9849   55.5410   16.7644  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 2
     3    2    5 2
     4    2    7 1
     5    3    4 1
     6    3    5 1
     7    6    8 2
     8    6    9 1
     9    7   10 2
    10    7   11 1
    11    8   10 1
    12    9   11 2
    13    3   12 1
    14    4   13 1
    15    5   14 1
    16    8   15 1
    17    9   16 1
    18   10   17 1
    19   11   18 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2234
  Crash		| -0.2482
  Polar		| 2.1218
  FragIndex	| 1
  FragRMSD	| 0.072