@<TRIPOS>MOLECULE
BindingDB_50334360
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0926    4.1315   15.7992  C     
2    C        17.6177    5.1537   14.9897  C     
3    C        16.7895    6.1978   14.5018  C     
4    C        15.4067    6.1403   14.7976  C     
5    C        14.8798    5.1126   15.6048  C     
6    C        15.7238    4.1056   16.1195  C     
7    S        15.1223    2.8139   17.1075  S     
8    N        13.4708    2.7440   17.3729  N     
9    O        15.3701    1.5198   16.2222  O     
10   O        15.9630    2.5970   18.4402  O     
11   N        17.2173    7.2644   13.7453  N     
12   C        18.4316    7.7734   13.5975  C     
13   N        18.5453    8.8365   12.8072  N     
14   O        19.3877    7.2975   14.1840  O     
15   C        19.6444    9.5867   12.4576  C     
16   C        20.9466    9.4765   12.9994  C     
17   C        21.9996   10.2930   12.5490  C     
18   C        21.7965   11.2698   11.5440  C     
19   C        20.4848   11.3945   11.0196  C     
20   C        19.4384   10.5661   11.4646  C     
21   C        22.8612   12.0748   11.1046  C     
22   O        24.0169   11.6826   11.2314  O     
23   C        22.6818   13.3974   10.5268  C     
24   H        17.7220    3.3981   16.1429  H     
25   H        18.6067    5.1011   14.7497  H     
26   H        14.7764    6.8574   14.4339  H     
27   H        13.8806    5.1102   15.8138  H     
28   H        12.9938    1.9272   17.1555  H     
29   H        12.9722    3.5646   17.4947  H     
30   H        16.5058    7.7601   13.2971  H     
31   H        17.7181    9.1207   12.3919  H     
32   H        21.1660    8.8148   13.7373  H     
33   H        22.9185   10.1766   12.9853  H     
34   H        20.2720   12.0793   10.2916  H     
35   H        18.5094   10.6808   11.0437  H     
36   H        22.1455   13.3233    9.5808  H     
37   H        23.6432   13.8912   10.3297  H     
38   H        22.1166   14.0242   11.2175  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   11 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 am
    10    7    9 2
    11    7   10 2
    12   11   12 am
    13   12   13 am
    14   12   14 2
    15   13   15 1
    16   15   16 2
    17   15   20 1
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21   18   21 1
    22   19   20 2
    23   21   22 2
    24   21   23 1
    25    1   24 1
    26    2   25 1
    27    4   26 1
    28    5   27 1
    29    8   28 1
    30    8   29 1
    31   11   30 1
    32   13   31 1
    33   16   32 1
    34   17   33 1
    35   19   34 1
    36   20   35 1
    37   23   36 1
    38   23   37 1
    39   23   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.5622
  Crash		| -0.7932
  Polar		| 2.1753
  FragIndex	| 1
  FragRMSD	| 1.060