@<TRIPOS>MOLECULE
BindingDB_14361
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.9919    1.2140   63.2093  C     
2    N        40.1354    1.7896   60.5336  N     
3    C        40.5139    2.9997   60.2338  C     
4    C        43.7595    1.5223   61.0717  C     
5    C        43.7907    1.4111   62.4866  C     
6    C        42.4678    1.6946   60.3183  C     
7    O        45.0631    1.0942   64.5884  O     
8    C        41.9354    3.1495   60.2141  C     
9    C        46.2056    1.1150   62.4948  C     
10   C        41.2089    0.9358   60.8402  C     
11   O        39.7219    3.9173   60.1034  O     
12   C        44.9798    1.3345   60.3831  C     
13   C        46.1861    1.1345   61.0856  C     
14   C        43.9366    0.5648   65.3383  C     
15   O        47.3797    0.8542   63.1567  O     
16   C        48.3494    1.9204   63.0376  C     
17   C        44.4269    0.0755   66.7151  C     
18   C        42.9115    1.6543   65.7029  C     
19   C        43.4081    2.2929   67.0087  C     
20   C        44.5110    1.3636   67.5556  C     
21   H        39.2092    1.5457   60.6826  H     
22   H        42.9140    1.4281   63.0031  H     
23   H        42.6584    1.3422   59.2983  H     
24   H        42.2599    3.6264   59.2858  H     
25   H        42.2408    3.7536   61.0713  H     
26   H        41.2152    0.8077   61.9277  H     
27   H        41.0904   -0.0334   60.3492  H     
28   H        44.9972    1.3422   59.3633  H     
29   H        47.0587    1.0174   60.5626  H     
30   H        43.4756   -0.2890   64.8187  H     
31   H        48.7119    2.0147   62.0082  H     
32   H        49.1982    1.6684   63.6771  H     
33   H        47.9501    2.8856   63.3796  H     
34   H        43.6902   -0.6028   67.1545  H     
35   H        45.3932   -0.4379   66.6583  H     
36   H        42.8134    2.4122   64.9294  H     
37   H        41.9339    1.1986   65.8599  H     
38   H        43.8209    3.2905   66.8156  H     
39   H        42.5857    2.3941   67.7322  H     
40   H        44.3585    1.1513   68.6290  H     
41   H        45.4932    1.8367   67.4286  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    7 1
     3    1    9 1
     4    2    3 1
     5    2   10 1
     6    3    8 1
     7    3   11 2
     8    4    5 1
     9    4    6 1
    10    4   12 2
    11    6    8 1
    12    6   10 1
    13    7   14 1
    14    9   13 2
    15    9   15 1
    16   12   13 1
    17   14   17 1
    18   14   18 1
    19   15   16 1
    20   17   20 1
    21   18   19 1
    22   19   20 1
    23    2   21 1
    24    5   22 1
    25    6   23 1
    26    8   24 1
    27    8   25 1
    28   10   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   16   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   18   36 1
    39   18   37 1
    40   19   38 1
    41   19   39 1
    42   20   40 1
    43   20   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1426
  Crash		| -0.8070
  Polar		| 1.8831
  FragIndex	| 1
  FragRMSD	| 1.375