@<TRIPOS>MOLECULE
BindingDB_29026
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.5238   34.6435   38.2104  C     
2    C        37.8956   33.4534   38.8447  C     
3    C        38.4695   32.3904   38.1126  C     
4    C        38.6099   32.5283   36.7153  C     
5    C        38.2235   33.7249   36.0766  C     
6    C        37.6972   34.8130   36.8211  C     
7    C        39.0169   31.2968   38.8178  C     
8    N        37.3369   36.0452   36.3521  N     
9    C        37.5017   36.6236   35.1744  C     
10   C        37.0954   37.9141   35.0329  C     
11   O        38.0293   36.0484   34.2348  O     
12   C        37.4742   38.9026   35.8762  C     
13   C        36.2790   38.1472   34.0767  C     
14   N        35.5443   38.3798   33.2283  N     
15   C        37.0359   40.2867   35.7572  C     
16   O        38.3359   38.6640   36.8614  O     
17   C        40.0764   31.5449   39.7218  C     
18   C        40.5906   30.5140   40.5175  C     
19   C        40.0463   29.2224   40.4339  C     
20   C        39.0069   28.9576   39.5313  C     
21   C        38.5027   29.9827   38.7049  C     
22   C        35.6107   40.5424   36.2928  C     
23   C        36.8158   41.1903   36.9789  C     
24   H        37.1553   35.4055   38.7890  H     
25   H        37.7861   33.3920   39.8592  H     
26   H        39.0380   31.7807   36.1624  H     
27   H        38.3553   33.7902   35.0662  H     
28   H        36.9209   36.6184   37.0132  H     
29   H        37.2706   40.8145   34.8310  H     
30   H        39.2145   38.7108   36.4327  H     
31   H        40.4773   32.4831   39.8158  H     
32   H        41.3581   30.7079   41.1603  H     
33   H        40.4255   28.4700   41.0123  H     
34   H        38.6295   28.0096   39.4776  H     
35   H        37.7441   29.7706   38.0526  H     
36   H        34.9881   41.2166   35.7047  H     
37   H        35.1291   39.7651   36.8879  H     
38   H        37.1360   40.7623   37.9243  H     
39   H        36.9285   42.2632   36.8157  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6    8 1
     9    7   17 2
    10    7   21 1
    11    8    9 am
    12    9   10 1
    13    9   11 2
    14   10   12 2
    15   10   13 1
    16   12   15 1
    17   12   16 1
    18   13   14 3
    19   15   22 1
    20   15   23 1
    21   17   18 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26    1   24 1
    27    2   25 1
    28    4   26 1
    29    5   27 1
    30    8   28 1
    31   15   29 1
    32   16   30 1
    33   17   31 1
    34   18   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   23   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.6872
  Crash		| -8.8739
  Polar		| 3.3844
  FragIndex	| 1
  FragRMSD	| 0.681