@<TRIPOS>MOLECULE
BindingDB_50174130
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.7042   42.3802   13.7194  N     
2    C        28.3113   45.7564   20.8192  C     
3    N        28.2872   43.5933   19.5747  N     
4    C        27.7159   44.9600   19.6220  C     
5    C        27.0221   43.1485   14.8030  C     
6    C        27.5087   43.3678   17.2198  C     
7    C        27.6425   44.7730   17.0759  C     
8    C        27.1840   42.5803   16.0921  C     
9    C        27.9463   45.6485   18.2413  C     
10   O        26.5447   42.8841   12.5248  O     
11   O        26.5406   41.1899   13.7916  O     
12   C        27.6830   42.7159   18.5459  C     
13   C        27.2042   44.5473   14.6776  C     
14   C        27.5133   45.3459   15.7925  C     
15   F        27.7653   47.0150   20.8979  F     
16   F        28.0370   45.1171   22.0053  F     
17   F        29.6761   45.8904   20.7183  F     
18   H        29.2886   43.6738   19.3816  H     
19   H        28.1713   43.1396   20.4841  H     
20   H        26.6347   44.8750   19.7870  H     
21   H        27.0686   41.5707   16.2168  H     
22   H        27.3143   46.5401   18.1960  H     
23   H        28.9886   45.9651   18.1495  H     
24   H        28.3389   41.8488   18.4445  H     
25   H        26.7109   42.3659   18.9019  H     
26   H        27.1110   45.0046   13.7673  H     
27   H        27.6343   46.3548   15.6628  H     
@<TRIPOS>BOND
     1    1    5 am
     2    1   10 1
     3    1   11 2
     4    4    2 1
     5    2   15 1
     6    2   16 1
     7    2   17 1
     8    3    4 1
     9    3   12 1
    10    4    9 1
    11    5    8 1
    12    5   13 2
    13    6    7 1
    14    6    8 2
    15    6   12 1
    16    7    9 1
    17    7   14 2
    18   13   14 1
    19    3   18 1
    20    3   19 1
    21    4   20 1
    22    8   21 1
    23    9   22 1
    24    9   23 1
    25   12   24 1
    26   12   25 1
    27   13   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2889
  Crash		| -0.1953
  Polar		| 2.2833
  FragIndex	| 1
  FragRMSD	| 0.091