@<TRIPOS>MOLECULE
BindingDB_14790
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.3826   45.4774   11.6249  C     
2    C        14.1609   45.5336   10.4675  C     
3    N        14.1947   45.2251   12.6600  N     
4    N        15.4180   45.0658   12.2515  N     
5    C        11.9339   45.6897   11.7907  C     
6    C        13.7307   45.9024    9.1693  C     
7    O        14.6286   46.2516    8.2210  O     
8    O        12.4101   46.0887    8.9219  O     
9    C        11.7669   46.6345    7.7652  C     
10   C        11.9888   45.8153    6.4808  C     
11   C        16.4471   44.8842   13.1453  C     
12   C        17.5974   45.6834   12.9487  C     
13   C        18.6930   45.6120   13.8153  C     
14   C        18.6830   44.7470   14.9317  C     
15   C        17.5290   43.9550   15.1301  C     
16   C        16.3943   43.9966   14.2725  C     
17   O        15.3251   42.3675   15.5933  O     
18   C        15.4576   45.2267   10.9002  C     
19   C        16.6474   45.1154   10.0220  C     
20   N        15.3378   43.1675   14.5593  N     
21   O        14.3580   43.0567   13.8736  O     
22   N        19.7553   44.6981   15.7807  N     
23   O        19.7838   43.9632   16.7415  O     
24   O        20.8106   45.4509   15.6175  O     
25   H        11.6612   46.7011   11.4787  H     
26   H        11.6512   45.5683   12.8346  H     
27   H        11.3812   44.9678   11.1967  H     
28   H        10.7000   46.6711    7.9815  H     
29   H        12.1090   47.6587    7.6186  H     
30   H        13.0361   45.8604    6.1876  H     
31   H        11.3815   46.2187    5.6670  H     
32   H        11.7083   44.7750    6.6450  H     
33   H        17.6471   46.3327   12.1601  H     
34   H        19.5040   46.2000   13.6167  H     
35   H        17.5207   43.3207   15.9316  H     
36   H        16.4382   44.4153    9.2088  H     
37   H        17.5182   44.7534   10.5757  H     
38   H        16.8824   46.0971    9.5969  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   18 2
     6    3    4 1
     7    4   11 1
     8    4   18 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   14   22 am
    19   15   16 2
    20   16   20 am
    21   17   20 1
    22   18   19 1
    23   20   21 2
    24   22   23 2
    25   22   24 1
    26    5   25 1
    27    5   26 1
    28    5   27 1
    29    9   28 1
    30    9   29 1
    31   10   30 1
    32   10   31 1
    33   10   32 1
    34   12   33 1
    35   13   34 1
    36   15   35 1
    37   19   36 1
    38   19   37 1
    39   19   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8798
  Crash		| -1.3389
  Polar		| 1.1653
  FragIndex	| 1
  FragRMSD	| 0.334