@<TRIPOS>MOLECULE
BindingDB_14798
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.2733   48.2369  -12.1615  C     
2    C         1.1767   48.6354  -11.4000  C     
3    N         3.3722   48.4889  -11.4437  N     
4    N         3.0863   49.0087  -10.2860  N     
5    C         2.3181   47.6190  -13.4994  C     
6    C        -0.1695   48.6272  -11.8476  C     
7    O        -0.4348   48.7173  -13.1737  O     
8    O        -1.2067   48.5790  -10.9730  O     
9    C        -2.6179   48.6387  -11.2233  C     
10   C        -3.2767   49.6501  -10.2619  C     
11   C         4.1156   49.3961   -9.4304  C     
12   C         3.9532   50.3858   -8.4307  C     
13   C         5.0168   50.7859   -7.6070  C     
14   C         6.2937   50.2392   -7.7926  C     
15   C         6.5344   49.2885   -8.8107  C     
16   C         5.4251   48.8635   -9.5873  C     
17   C         1.7255   49.0887  -10.1873  C     
18   C         0.9626   49.6138   -9.0298  C     
19   N         7.7992   48.8340   -9.0537  N     
20   O         8.0606   48.0956   -9.9674  O     
21   O         8.8270   49.2031   -8.3374  O     
22   H         1.7258   46.7020  -13.4992  H     
23   H         3.3455   47.3704  -13.7749  H     
24   H         1.9192   48.3086  -14.2439  H     
25   H        -2.8378   48.9293  -12.2552  H     
26   H        -3.0362   47.6450  -11.0453  H     
27   H        -3.1033   49.3515   -9.2249  H     
28   H        -4.3533   49.6894  -10.4400  H     
29   H        -2.8591   50.6479  -10.4197  H     
30   H         3.0616   50.8534   -8.2923  H     
31   H         4.8655   51.4933   -6.8845  H     
32   H         7.0539   50.5712   -7.1957  H     
33   H         5.5835   48.1545  -10.3056  H     
34   H        -0.0634   49.2624   -8.9990  H     
35   H         0.9580   50.7075   -9.0647  H     
36   H         1.4283   49.2785   -8.1016  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   15   16 2
    19   15   19 am
    20   17   18 1
    21   19   20 2
    22   19   21 1
    23    5   22 1
    24    5   23 1
    25    5   24 1
    26    9   25 1
    27    9   26 1
    28   10   27 1
    29   10   28 1
    30   10   29 1
    31   12   30 1
    32   13   31 1
    33   14   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3248
  Crash		| -0.6889
  Polar		| 1.1180
  FragIndex	| 1
  FragRMSD	| 0.692