@<TRIPOS>MOLECULE
BindingDB_50348091
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.5779   33.0761   25.9087  C     
2    C        61.6121   33.0703   24.8927  C     
3    O        62.5266   32.2611   24.9814  O     
4    C        61.6111   33.9248   23.8469  C     
5    C        61.9799   35.2157   23.8461  C     
6    C        62.4751   35.9605   24.9875  C     
7    O        61.8752   35.8170   22.6468  O     
8    C        61.4256   34.8000   21.8607  C     
9    C        61.1653   34.8533   20.4824  C     
10   C        60.7279   33.6866   19.8287  C     
11   C        60.5221   32.4858   20.5489  C     
12   N        60.0886   31.3719   19.9135  N     
13   S        58.5137   31.2394   19.3208  S     
14   O        58.0183   32.6029   18.6664  O     
15   O        58.6083   30.2765   18.0585  O     
16   C        57.3440   30.5909   20.4443  C     
17   C        57.2921   29.2029   20.6941  C     
18   C        56.3184   28.6768   21.5594  C     
19   C        55.4000   29.5287   22.1966  C     
20   C        55.4346   30.9234   21.9736  C     
21   C        56.4229   31.4404   21.0943  C     
22   C        54.4925   31.7792   22.6035  C     
23   O        54.4888   33.1161   22.3798  O     
24   O        53.5630   31.3171   23.4659  O     
25   C        60.8049   32.4456   21.9375  C     
26   C        61.2550   33.6197   22.5769  C     
27   H        60.0775   32.1078   25.9251  H     
28   H        59.8265   33.8464   25.7241  H     
29   H        61.0269   33.2557   26.8857  H     
30   H        61.7268   35.9729   25.7772  H     
31   H        62.6983   36.9940   24.7050  H     
32   H        63.3905   35.5012   25.3610  H     
33   H        61.2980   35.7253   19.9680  H     
34   H        60.5581   33.7138   18.8203  H     
35   H        60.7605   30.7691   19.5470  H     
36   H        57.9525   28.5690   20.2416  H     
37   H        56.2641   27.6694   21.7191  H     
38   H        54.7001   29.1119   22.8179  H     
39   H        56.4737   32.4449   20.9214  H     
40   H        60.6799   31.5837   22.4714  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 2
     3    2    4 1
     4    4    5 2
     5    4   26 1
     6    5    6 1
     7    5    7 1
     8    7    8 1
     9    8    9 2
    10    8   26 1
    11    9   10 1
    12   10   11 2
    13   11   12 1
    14   11   25 1
    15   12   13 1
    16   13   14 2
    17   13   15 2
    18   13   16 1
    19   16   17 2
    20   16   21 1
    21   17   18 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25   20   22 1
    26   22   23 1
    27   22   24 2
    28   25   26 2
    29    1   27 1
    30    1   28 1
    31    1   29 1
    32    6   30 1
    33    6   31 1
    34    6   32 1
    35    9   33 1
    36   10   34 1
    37   12   35 1
    38   17   36 1
    39   18   37 1
    40   19   38 1
    41   21   39 1
    42   25   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.0847
  Crash		| -1.0420
  Polar		| 1.3747
  FragIndex	| 1
  FragRMSD	| 1.092