@<TRIPOS>MOLECULE
BindingDB_12127
 57 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.3878   -2.0550    9.5435  C     
2    C        18.6107   -0.9572    9.1453  C     
3    N        19.4070   -0.1784    8.3744  N     
4    C        20.6144   -0.7471    8.2281  C     
5    C        20.6409   -1.9336    8.9603  C     
6    C        21.7193   -0.3496    7.4676  C     
7    C        22.8624   -1.1682    7.4481  C     
8    C        21.7819   -2.7662    8.9475  C     
9    C        17.2676   -0.6730    9.3642  C     
10   C        16.2991   -1.3577   10.0712  C     
11   C        13.9433   -0.9227   10.5633  C     
12   C        15.1530   -0.5909    9.9384  C     
13   C        16.2289   -2.5485   10.8186  C     
14   C        15.0173   -2.8990   11.4556  C     
15   C        13.8552   -2.0801   11.3938  C     
16   N        16.7019    0.3737    8.8608  N     
17   N        15.4763    0.4458    9.1670  N     
18   C        22.9018   -2.4027    8.1630  C     
19   C        24.0883   -3.3004    8.0522  C     
20   C        24.8750   -6.8405    6.6601  C     
21   C        22.5548   -6.1575    5.8944  C     
22   C        22.8384   -4.7094    6.3706  C     
23   C        25.0987   -5.3887    7.1626  C     
24   N        23.8193   -4.6755    7.5076  N     
25   C        23.8617   -6.8808    5.4901  C     
26   C        12.3367   -3.2732   12.9925  C     
27   C        11.1051   -2.9353   13.3751  C     
28   N        12.7004   -2.3344   12.1053  N     
29   N        11.6981   -1.5490   12.0380  N     
30   N        10.7661   -1.8854   12.7636  N     
31   C        13.0308   -4.4273   13.5310  C     
32   H        19.1083   -2.8407   10.1339  H     
33   H        19.1330    0.6398    7.9372  H     
34   H        21.6760    0.5114    6.9068  H     
35   H        23.6515   -0.8826    6.8690  H     
36   H        21.7610   -3.6539    9.4614  H     
37   H        13.1503   -0.2899   10.4411  H     
38   H        17.0375   -3.1592   10.9105  H     
39   H        15.0207   -3.7710   11.9733  H     
40   H        14.8591    1.1439    8.8862  H     
41   H        24.8646   -2.8198    7.4422  H     
42   H        24.4998   -3.4026    9.0598  H     
43   H        25.8272   -7.2643    6.3267  H     
44   H        24.5025   -7.4523    7.4819  H     
45   H        22.0688   -6.7219    6.6983  H     
46   H        21.8703   -6.1415    5.0419  H     
47   H        23.2023   -4.1140    5.5253  H     
48   H        21.8853   -4.2867    6.6913  H     
49   H        25.7443   -5.4339    8.0491  H     
50   H        25.6418   -4.8302    6.3936  H     
51   H        23.3885   -5.2049    8.2659  H     
52   H        24.2931   -6.3958    4.6098  H     
53   H        23.6404   -7.9173    5.2282  H     
54   H        10.5395   -3.4028   14.0424  H     
55   H        13.9409   -4.1086   14.0383  H     
56   H        13.2799   -5.1194   12.7245  H     
57   H        12.4203   -4.9781   14.2550  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   28 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   27 2
    32   26   28 1
    33   26   31 1
    34   27   30 1
    35   28   29 1
    36   29   30 2
    37    1   32 1
    38    3   33 1
    39    6   34 1
    40    7   35 1
    41    8   36 1
    42   11   37 1
    43   13   38 1
    44   14   39 1
    45   17   40 1
    46   19   41 1
    47   19   42 1
    48   20   43 1
    49   20   44 1
    50   21   45 1
    51   21   46 1
    52   22   47 1
    53   22   48 1
    54   23   49 1
    55   23   50 1
    56   24   51 1
    57   25   52 1
    58   25   53 1
    59   27   54 1
    60   31   55 1
    61   31   56 1
    62   31   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6322
  Crash		| -0.4511
  Polar		| 1.4459
  FragIndex	| 1
  FragRMSD	| 0.776