@<TRIPOS>MOLECULE
BindingDB_13488
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.6518   -3.7311   -4.3004  C     
2    C        16.7070   -2.3547   -3.9830  C     
3    C        16.6768   -1.9224   -2.6423  C     
4    C        16.5961   -2.8532   -1.5805  C     
5    C        16.6329   -4.2287   -1.9079  C     
6    C        16.6483   -4.6642   -3.2423  C     
7    C        16.3820   -2.4805   -0.1502  C     
8    C        17.1430   -1.4127    1.8314  C     
9    C        17.6433   -2.0500    0.6324  C     
10   N        15.8921   -1.0234    1.7940  N     
11   O        15.1815    0.2395   -0.2754  O     
12   O        17.7911   -1.3327    2.8648  O     
13   C        16.5617   -4.1882   -5.7151  C     
14   C        17.9265   -4.1926   -6.4619  C     
15   C        18.9757   -4.8464   -5.6474  C     
16   C        20.1705   -6.3866   -4.6949  C     
17   C        20.6469   -5.1339   -4.3120  C     
18   C        21.8693   -7.4596   -3.3471  C     
19   C        20.7678   -7.5678   -4.2231  C     
20   C        21.7414   -5.0123   -3.4387  C     
21   C        22.3537   -6.1895   -2.9572  C     
22   N        19.8979   -4.1953   -4.9088  N     
23   N        19.1385   -6.1782   -5.5179  N     
24   N        17.7757   -4.8807   -7.7110  N     
25   S        15.1528   -1.2411    0.3049  S     
26   O        13.7602   -1.9419    0.6178  O     
27   C        18.0994   -4.4283   -8.9136  C     
28   O        18.5668   -3.3071   -9.0768  O     
29   C        17.8616   -5.2820  -10.0551  C     
30   H        16.7219   -1.6567   -4.7299  H     
31   H        16.6586   -0.9206   -2.4590  H     
32   H        16.5939   -4.9317   -1.1695  H     
33   H        16.6330   -5.6687   -3.4353  H     
34   H        15.9946   -3.3787    0.3453  H     
35   H        18.2539   -2.9232    0.8795  H     
36   H        18.2406   -1.3352    0.0601  H     
37   H        15.4361   -0.6459    2.5632  H     
38   H        16.1264   -5.1927   -5.7699  H     
39   H        15.8633   -3.5296   -6.2386  H     
40   H        18.2077   -3.1538   -6.6654  H     
41   H        22.3197   -8.3062   -2.9933  H     
42   H        20.4120   -8.4822   -4.5096  H     
43   H        22.0866   -4.0912   -3.1607  H     
44   H        23.1524   -6.1218   -2.3225  H     
45   H        18.5999   -6.8632   -5.9491  H     
46   H        17.3913   -5.7698   -7.6751  H     
47   H        18.4233   -6.2118   -9.9431  H     
48   H        18.1707   -4.8028  -10.9860  H     
49   H        16.7974   -5.5182  -10.1243  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   25 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   25 1
    15   11   25 2
    16   14   13 1
    17   14   15 1
    18   14   24 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   27 am
    30   25   26 2
    31   27   28 2
    32   27   29 1
    33    2   30 1
    34    3   31 1
    35    5   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39    9   36 1
    40   10   37 1
    41   13   38 1
    42   13   39 1
    43   14   40 1
    44   18   41 1
    45   19   42 1
    46   20   43 1
    47   21   44 1
    48   23   45 1
    49   24   46 1
    50   29   47 1
    51   29   48 1
    52   29   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9989
  Crash		| -2.3745
  Polar		| 6.6234
  FragIndex	| 1
  FragRMSD	| 0.441