@<TRIPOS>MOLECULE
BindingDB_15309
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        61.1153    1.1754   10.0748  C     
2    C        60.5779    0.6897    8.8602  C     
3    C        59.4375   -0.1392    8.8591  C     
4    C        58.8157   -0.5556   10.0701  C     
5    C        59.4629   -0.1762   11.2723  C     
6    C        60.5894    0.6611   11.2767  C     
7    C        57.6024   -1.2714   10.0711  C     
8    C        56.5210   -1.0302   11.0556  C     
9    C        55.1187   -1.1168   10.3504  C     
10   C        55.0693   -2.2400    9.4278  C     
11   N        57.3273   -2.0829    9.0954  N     
12   N        56.1975   -2.6498    8.8582  N     
13   C        56.5892   -2.0512   12.2299  C     
14   O        54.0103   -2.7298    9.0713  O     
15   N        62.0731    2.1466    9.9997  N     
16   C        62.5306    2.9597   10.9656  C     
17   C        63.3570    5.2821   12.4704  C     
18   C        64.2133    4.1618   12.1064  C     
19   C        63.8619    3.1822   11.1776  C     
20   C        61.5136    3.7714   11.6688  C     
21   C        61.9793    5.2455   11.7729  C     
22   C        65.0072    2.4825   10.5343  C     
23   C        64.9469    1.6543    9.2914  C     
24   C        64.5925    1.4463    6.8618  C     
25   C        64.9876    0.0961    6.9100  C     
26   C        65.3631   -0.4947    8.1403  C     
27   C        65.4201    0.3145    9.3030  C     
28   C        64.5413    2.2065    8.0443  C     
29   O        65.2750    4.1021   12.7162  O     
30   N        65.6751   -1.8156    8.2112  N     
31   O        65.6371   -2.4047    9.2598  O     
32   O        65.9707   -2.5126    7.1478  O     
33   H        60.9494    1.0359    7.9615  H     
34   H        59.0274   -0.3895    7.9560  H     
35   H        59.1083   -0.4665   12.1796  H     
36   H        61.0026    0.9111   12.1792  H     
37   H        56.6123   -0.0248   11.4765  H     
38   H        54.3144   -1.1879   11.0897  H     
39   H        54.9416   -0.2084    9.7630  H     
40   H        56.1524   -3.3549    8.1965  H     
41   H        56.4282   -3.0742   11.8694  H     
42   H        55.8234   -1.8260   12.9731  H     
43   H        57.5528   -2.0124   12.7396  H     
44   H        62.4862    2.2609    9.1333  H     
45   H        63.1867    5.2585   13.5534  H     
46   H        63.8627    6.2220   12.2293  H     
47   H        60.5422    3.7569   11.1685  H     
48   H        61.3792    3.3784   12.6822  H     
49   H        61.2592    5.8457   12.3352  H     
50   H        62.0652    5.6635   10.7715  H     
51   H        65.7636    3.2549   10.3445  H     
52   H        65.4427    1.8374   11.2996  H     
53   H        64.3089    1.8784    5.9766  H     
54   H        64.9707   -0.4513    6.0475  H     
55   H        65.7552   -0.0747   10.1874  H     
56   H        64.2211    3.1766    7.9819  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    8 1
    10    7   11 2
    11    8    9 1
    12    8   13 1
    13    9   10 1
    14   10   12 1
    15   10   14 2
    16   11   12 1
    17   15   16 1
    18   16   19 2
    19   16   20 1
    20   17   18 1
    21   17   21 1
    22   18   19 1
    23   18   29 2
    24   19   22 1
    25   20   21 1
    26   22   23 1
    27   23   27 2
    28   23   28 1
    29   24   25 1
    30   24   28 2
    31   25   26 2
    32   26   27 1
    33   26   30 am
    34   30   31 2
    35   30   32 1
    36    2   33 1
    37    3   34 1
    38    5   35 1
    39    6   36 1
    40    8   37 1
    41    9   38 1
    42    9   39 1
    43   12   40 1
    44   13   41 1
    45   13   42 1
    46   13   43 1
    47   15   44 1
    48   17   45 1
    49   17   46 1
    50   20   47 1
    51   20   48 1
    52   21   49 1
    53   21   50 1
    54   22   51 1
    55   22   52 1
    56   24   53 1
    57   25   54 1
    58   27   55 1
    59   28   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2448
  Crash		| -1.1075
  Polar		| 2.7213
  FragIndex	| 1
  FragRMSD	| 0.261