@<TRIPOS>MOLECULE
BindingDB_18791
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.4584    0.8552   15.3782  C     
2    C        29.5355    1.1672   14.0074  C     
3    C        28.6189    2.0754   13.4264  C     
4    C        27.6143    2.6531   14.2372  C     
5    C        27.5512    2.3532   15.6116  C     
6    C        28.4709    1.4537   16.1817  C     
7    C        28.7237    2.4208   12.0541  C     
8    C        27.9867    1.7243   11.0594  C     
9    C        28.9712    3.0249    9.3461  C     
10   C        29.5798    3.4674   11.6103  C     
11   N        27.1451    0.7132   11.3306  N     
12   N        29.1329    3.3155    8.0467  N     
13   N        28.1315    2.0435    9.7496  N     
14   N        29.6620    3.7194   10.2774  N     
15   C        30.3435    4.3829   12.5036  C     
16   C        29.5163    5.6440   12.8735  C     
17   C        30.1554    6.4590   14.0328  C     
18   C        29.1596    7.2211   14.8358  C     
19   C        28.7285    6.7535   16.1021  C     
20   C        27.7916    7.4815   16.8589  C     
21   C        27.2681    8.6880   16.3587  C     
22   C        27.6899    9.1688   15.1066  C     
23   C        28.6335    8.4451   14.3534  C     
24   H        30.1229    0.1968   15.7918  H     
25   H        30.2672    0.7316   13.4388  H     
26   H        26.9365    3.3095   13.8377  H     
27   H        26.8361    2.7888   16.1988  H     
28   H        28.4181    1.2304   17.1783  H     
29   H        26.6926    0.2489   10.6089  H     
30   H        27.0195    0.4043   12.2393  H     
31   H        29.7665    4.0054    7.7816  H     
32   H        28.6388    2.8226    7.3714  H     
33   H        30.6495    3.8572   13.4104  H     
34   H        31.2584    4.7058   12.0023  H     
35   H        29.4288    6.2833   11.9922  H     
36   H        28.5093    5.3410   13.1717  H     
37   H        30.7150    5.7716   14.6744  H     
38   H        30.8739    7.1649   13.6137  H     
39   H        29.0923    5.8760   16.4840  H     
40   H        27.4902    7.1338   17.7720  H     
41   H        26.5870    9.2184   16.9061  H     
42   H        27.3131   10.0494   14.7464  H     
43   H        28.9383    8.8212   13.4512  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    7    8 1
     9    7   10 2
    10    8   11 1
    11    8   13 2
    12    9   12 1
    13    9   13 1
    14    9   14 2
    15   10   14 1
    16   10   15 1
    17   15   16 1
    18   16   17 1
    19   17   18 1
    20   18   19 2
    21   18   23 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25   22   23 2
    26    1   24 1
    27    2   25 1
    28    4   26 1
    29    5   27 1
    30    6   28 1
    31   11   29 1
    32   11   30 1
    33   12   31 1
    34   12   32 1
    35   15   33 1
    36   15   34 1
    37   16   35 1
    38   16   36 1
    39   17   37 1
    40   17   38 1
    41   19   39 1
    42   20   40 1
    43   21   41 1
    44   22   42 1
    45   23   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0880
  Crash		| -0.5066
  Polar		| 3.0618
  FragIndex	| 1
  FragRMSD	| 1.128