@<TRIPOS>MOLECULE
BindingDB_14145
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.9964    1.6577   25.6098  C     
2    C         8.6974    0.4996   24.8372  C     
3    C         8.6643    0.6467   23.4187  C     
4    C         8.9043    1.8874   22.7920  C     
5    C         9.2463    2.8901   24.9720  C     
6    C         9.1955    3.0007   23.5912  C     
7    C         9.6519    4.9713   24.4248  C     
8    N         9.4505    4.2795   23.2836  N     
9    C         8.4400   -0.7684   25.4511  C     
10   N         8.0687   -0.9115   26.7399  N     
11   N         8.5456   -1.9372   24.7875  N     
12   C         9.9293    6.3680   24.5429  C     
13   C        10.4919    9.1332   24.9214  C     
14   C        10.7703    8.5309   23.6796  C     
15   C        10.4733    7.1581   23.4880  C     
16   C         9.6570    7.0132   25.7763  C     
17   C         9.9310    8.3760   25.9649  C     
18   O        10.7647    6.6326   22.2739  O     
19   C        10.5018   10.2296   22.0501  C     
20   N         9.5311    4.1060   25.4617  N     
21   O        11.3696    9.2737   22.6888  O     
22   C        11.3026   11.1581   21.0866  C     
23   C        12.2448   10.3646   20.1398  C     
24   C        10.3511   12.0746   20.2673  C     
25   H         9.0358    1.6212   26.6292  H     
26   H         8.4472   -0.1484   22.8162  H     
27   H         8.8619    1.9750   21.7786  H     
28   H         9.4667    4.6418   22.3839  H     
29   H         7.9057   -1.8056   27.0827  H     
30   H         8.4155   -2.7781   25.2571  H     
31   H         8.7885   -1.9557   23.8499  H     
32   H        10.7069   10.1217   25.0777  H     
33   H         9.2478    6.4941   26.5579  H     
34   H         9.7353    8.8157   26.8703  H     
35   H        11.7035    6.3701   22.3368  H     
36   H         9.7249    9.7028   21.4870  H     
37   H        10.0274   10.8553   22.8150  H     
38   H        11.9289   11.8145   21.6985  H     
39   H        12.9790    9.8002   20.7200  H     
40   H        12.7894   11.0463   19.4818  H     
41   H        11.6786    9.6666   19.5228  H     
42   H         9.7085   11.4814   19.6115  H     
43   H        10.9270   12.7695   19.6490  H     
44   H         9.7184   12.6652   20.9323  H     
45   H         7.9319   -0.1446   27.3158  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    4    6 1
     7    5    6 2
     8    5   20 1
     9    6    8 1
    10    7    8 1
    11    7   12 1
    12    7   20 2
    13    9   10 2
    14    9   11 1
    15   12   15 2
    16   12   16 1
    17   13   14 2
    18   13   17 1
    19   14   15 1
    20   14   21 1
    21   15   18 1
    22   16   17 2
    23   19   21 1
    24   19   22 1
    25   22   23 1
    26   22   24 1
    27    1   25 1
    28    3   26 1
    29    4   27 1
    30    8   28 1
    31   10   29 1
    32   11   30 1
    33   11   31 1
    34   13   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   22   38 1
    41   23   39 1
    42   23   40 1
    43   23   41 1
    44   24   42 1
    45   24   43 1
    46   24   44 1
    47   10   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1409
  Crash		| -0.8178
  Polar		| 4.9421
  FragIndex	| 1
  FragRMSD	| 1.402