@<TRIPOS>MOLECULE
BindingDB_50337278
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.1790  -25.6050   65.6447  C     
2    C        25.3515  -24.2262   65.4351  C     
3    C        25.8301  -23.7586   64.2039  C     
4    C        26.0969  -24.6694   63.1692  C     
5    C        25.8425  -26.0489   63.3342  C     
6    C        25.4188  -26.5221   64.6021  C     
7    N        25.9915  -26.8095   62.2221  N     
8    C        25.2898  -27.9389   61.9370  C     
9    C        23.9126  -27.9082   62.2447  C     
10   C        23.0754  -28.9654   61.8598  C     
11   C        23.6014  -30.0451   61.1352  C     
12   C        24.9662  -30.0818   60.8050  C     
13   C        25.8308  -29.0312   61.2055  C     
14   C        27.2171  -29.1077   60.9401  C     
15   O        27.7368  -30.0555   60.1275  O     
16   O        28.0372  -28.5552   61.8565  O     
17   H        24.8792  -25.9376   66.5622  H     
18   H        25.1389  -23.5609   66.1793  H     
19   H        25.9752  -22.7555   64.0579  H     
20   H        26.4328  -24.3069   62.2720  H     
21   H        25.3225  -27.5340   64.7916  H     
22   H        26.3528  -26.3497   61.4495  H     
23   H        23.5069  -27.1141   62.7454  H     
24   H        22.0850  -28.9448   62.0999  H     
25   H        22.9871  -30.8055   60.8436  H     
26   H        25.3226  -30.8926   60.2897  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5    7 1
     8    7    8 1
     9    8    9 2
    10    8   13 1
    11    9   10 1
    12   10   11 2
    13   11   12 1
    14   12   13 2
    15   13   14 1
    16   14   15 1
    17   14   16 2
    18    1   17 1
    19    2   18 1
    20    3   19 1
    21    4   20 1
    22    6   21 1
    23    7   22 1
    24    9   23 1
    25   10   24 1
    26   11   25 1
    27   12   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9503
  Crash		| -0.4700
  Polar		| 2.6354
  FragIndex	| 1
  FragRMSD	| 0.294