@<TRIPOS>MOLECULE
BindingDB_13423
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.3733   29.5907   19.3804  C     
2    C        22.6703   28.3987   19.1247  C     
3    C        21.3591   28.4455   18.6236  C     
4    C        20.7572   29.6901   18.3750  C     
5    O        20.6478   27.3053   18.4268  O     
6    S        19.7825   26.5921   19.6949  S     
7    O        18.4968   25.6467   19.1445  O     
8    O        20.8709   25.5936   20.5211  O     
9    C        22.7979   30.8699   19.1297  C     
10   C        21.4648   30.8738   18.6469  C     
11   C        23.4483   32.1274   19.3386  C     
12   C        21.4069   33.2419   18.7795  C     
13   C        22.7385   33.3003   19.2539  C     
14   O        20.6017   34.3184   18.6008  O     
15   O        20.8243   32.0558   18.4788  O     
16   C        24.8996   32.0693   19.5783  C     
17   N        19.2682   27.7569   20.7909  N     
18   C        23.2402   34.6377   19.6617  C     
19   C        23.1780   34.8997   21.2045  C     
20   C        24.2643   34.2125   22.0962  C     
21   C        26.3043   34.5662   23.6546  C     
22   C        25.2493   35.2444   22.7430  C     
23   C        23.6115   33.3389   23.2208  C     
24   C        24.6722   32.6444   24.1192  C     
25   C        25.6411   33.6837   24.7474  C     
26   H        24.3132   29.5002   19.7633  H     
27   H        23.1113   27.4952   19.3243  H     
28   H        19.7930   29.7372   18.0375  H     
29   H        25.1102   31.5700   20.5259  H     
30   H        25.4104   33.0260   19.6159  H     
31   H        25.3829   31.5053   18.7790  H     
32   H        18.3775   27.6907   21.1715  H     
33   H        19.7623   28.5886   20.8797  H     
34   H        24.2287   34.8467   19.2644  H     
35   H        22.6382   35.4227   19.1946  H     
36   H        23.2555   35.9802   21.3725  H     
37   H        22.1861   34.6035   21.5566  H     
38   H        24.8359   33.5255   21.4699  H     
39   H        26.9658   33.9444   23.0471  H     
40   H        26.9136   35.3390   24.1386  H     
41   H        25.7812   35.8001   21.9681  H     
42   H        24.6815   35.9704   23.3331  H     
43   H        22.9694   33.9625   23.8526  H     
44   H        22.9828   32.5606   22.7718  H     
45   H        24.1737   32.0941   24.9248  H     
46   H        25.2457   31.9217   23.5233  H     
47   H        26.4164   33.1625   25.3150  H     
48   H        25.0842   34.3242   25.4357  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    9 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    6 1
     8    6    7 2
     9    6    8 2
    10    6   17 am
    11    9   10 1
    12    9   11 1
    13   10   15 1
    14   11   13 2
    15   11   16 1
    16   12   13 1
    17   12   14 2
    18   12   15 1
    19   13   18 1
    20   18   19 1
    21   19   20 1
    22   20   22 1
    23   20   23 1
    24   21   22 1
    25   21   25 1
    26   23   24 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    4   28 1
    31   16   29 1
    32   16   30 1
    33   16   31 1
    34   17   32 1
    35   17   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   24   45 1
    48   24   46 1
    49   25   47 1
    50   25   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1067
  Crash		| -0.9901
  Polar		| 1.5351
  FragIndex	| 1
  FragRMSD	| 0.943