@<TRIPOS>MOLECULE
BindingDB_50337284
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        26.0427  -29.2885   61.2084  C     
2    C        25.1027  -30.2271   60.7123  C     
3    C        23.7411  -30.1154   61.0273  C     
4    C        23.2936  -29.0551   61.8322  C     
5    C        24.2047  -28.1056   62.3411  C     
6    C        25.5738  -28.2450   62.0367  C     
7    N        23.6917  -27.0793   63.0572  N     
8    C        24.3665  -26.0322   63.5911  C     
9    C        25.1990  -26.1903   64.7207  C     
10   C        25.7882  -25.0602   65.3249  C     
11   C        25.5625  -23.7749   64.7888  C     
12   C        24.7435  -23.6247   63.6504  C     
13   C        24.1404  -24.7484   63.0599  C     
14   C        27.4242  -29.3806   60.9031  C     
15   O        28.3544  -28.6128   61.5308  O     
16   O        27.8708  -30.1923   59.9075  O     
17   Cl       26.2245  -22.3897   65.4922  Cl    
18   H        25.4068  -31.0109   60.1278  H     
19   H        23.0749  -30.7958   60.6744  H     
20   H        22.2931  -28.9737   62.0389  H     
21   H        26.2399  -27.5490   62.3951  H     
22   H        22.7204  -27.0297   63.1008  H     
23   H        25.3471  -27.1166   65.1265  H     
24   H        26.3686  -25.1772   66.1541  H     
25   H        24.5689  -22.6906   63.2592  H     
26   H        23.5259  -24.6214   62.2524  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   14 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 1
     9    7    8 1
    10    8    9 2
    11    8   13 1
    12    9   10 1
    13   10   11 2
    14   11   12 1
    15   11   17 1
    16   12   13 2
    17   14   15 2
    18   14   16 1
    19    2   18 1
    20    3   19 1
    21    4   20 1
    22    6   21 1
    23    7   22 1
    24    9   23 1
    25   10   24 1
    26   12   25 1
    27   13   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7397
  Crash		| -1.6096
  Polar		| 2.1103
  FragIndex	| 1
  FragRMSD	| 1.323