@<TRIPOS>MOLECULE
BindingDB_11453
 57 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.5647   62.9029    4.7552  C     
2    C         4.4877   63.7791    4.9568  C     
3    C         3.7506   63.7642    6.1607  C     
4    C         4.1961   62.9259    7.2161  C     
5    C         5.2813   62.0529    7.0212  C     
6    C         5.9352   61.9896    5.7699  C     
7    N         2.6658   64.5721    6.2385  N     
8    C         1.6826   64.6128    7.1510  C     
9    C         1.1759   63.5138    7.7645  C     
10   C         0.1146   63.6476    8.6783  C     
11   C         0.0781   65.9622    8.2585  C     
12   C         0.5717   67.8757    7.4856  C     
13   N        -0.4138   64.8861    8.9113  N     
14   N         1.0921   65.8091    7.3843  N     
15   N         1.3937   66.9801    6.9092  N     
16   N        -0.2641   67.2560    8.3341  N     
17   S         7.1663   60.7877    5.4794  S     
18   O         7.8152   61.0817    4.0550  O     
19   O         8.3230   60.9969    6.5520  O     
20   N        -0.3617   62.5421    9.3041  N     
21   C        -1.4105   62.5079   10.2831  C     
22   C        -0.9159   63.0921   11.6400  C     
23   C        -1.9858   62.9624   12.7592  C     
24   C        -2.4545   61.4929   12.9294  C     
25   C        -2.9760   60.9234   11.5843  C     
26   C        -1.9044   61.0434   10.4621  C     
27   N        -3.4763   61.4012   13.9852  N     
28   N         6.5971   59.1854    5.5448  N     
29   C         7.5620   58.1288    5.3773  C     
30   C         5.3797   58.9174    6.2729  C     
31   H         6.0589   62.9199    3.8547  H     
32   H         4.2091   64.4013    4.1877  H     
33   H         3.7005   62.9506    8.1222  H     
34   H         5.5790   61.4479    7.7894  H     
35   H         2.6126   65.2450    5.5395  H     
36   H         1.5658   62.6048    7.5688  H     
37   H         0.5888   68.8827    7.3276  H     
38   H         0.0344   61.6912    9.0461  H     
39   H        -2.2611   63.1069    9.9307  H     
40   H        -0.0061   62.5706   11.9546  H     
41   H        -0.6705   64.1521   11.5235  H     
42   H        -1.5643   63.3193   13.6952  H     
43   H        -2.8446   63.5923   12.5139  H     
44   H        -1.6055   60.8836   13.2559  H     
45   H        -3.2284   59.8670   11.7084  H     
46   H        -3.8784   61.4519   11.2742  H     
47   H        -2.3301   60.6906    9.5211  H     
48   H        -1.0526   60.3972   10.7084  H     
49   H        -3.0277   61.5528   14.8906  H     
50   H        -3.9084   60.4752   13.9739  H     
51   H        -4.1927   62.1223   13.8602  H     
52   H         8.1947   58.3228    4.5024  H     
53   H         7.0675   57.1659    5.2056  H     
54   H         8.1974   58.0486    6.2688  H     
55   H         5.5187   59.1439    7.3395  H     
56   H         5.0619   57.8745    6.1741  H     
57   H         4.5574   59.5254    5.8763  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    6   17 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   20 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 2
    22   17   19 2
    23   17   28 1
    24   21   20 1
    25   21   22 1
    26   21   26 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   24   27 1
    31   25   26 1
    32   28   29 1
    33   28   30 1
    34    1   31 1
    35    2   32 1
    36    4   33 1
    37    5   34 1
    38    7   35 1
    39    9   36 1
    40   12   37 1
    41   20   38 1
    42   21   39 1
    43   22   40 1
    44   22   41 1
    45   23   42 1
    46   23   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   27   50 1
    54   27   51 1
    55   29   52 1
    56   29   53 1
    57   29   54 1
    58   30   55 1
    59   30   56 1
    60   30   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2201
  Crash		| -1.6203
  Polar		| 2.4561
  FragIndex	| 1
  FragRMSD	| 0.716