@<TRIPOS>MOLECULE
BindingDB_15677
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        39.9491   52.1400   59.3188  C     
2    C        41.8112   51.1325   60.0437  C     
3    C        40.8238   50.1216   60.2436  C     
4    N        41.3555   52.2708   59.5376  N     
5    C        42.0916   53.4606   59.0572  C     
6    C        44.3159   54.8947   59.0536  C     
7    C        43.5461   56.1523   59.5173  C     
8    C        42.1000   56.1021   58.9788  C     
9    C        41.3696   54.8154   59.4305  C     
10   C        43.6059   53.5956   59.4746  C     
11   O        42.9862   50.8282   60.2450  O     
12   C        39.4594   50.8438   60.0344  C     
13   C        38.5747   50.9438   61.2071  C     
14   O        38.5157   49.9794   61.9903  O     
15   N        37.8287   52.0149   61.5194  N     
16   C        36.9158   52.1527   62.5153  C     
17   C        34.9143   52.7747   64.4064  C     
18   C        36.0527   53.5991   64.3005  C     
19   C        37.0462   53.2909   63.3364  C     
20   C        35.7718   51.3306   62.6414  C     
21   C        34.7722   51.6485   63.5828  C     
22   Cl       33.3637   50.7089   63.6774  Cl    
23   Cl       36.2284   54.9798   65.2617  Cl    
24   H        39.4191   53.0085   59.7029  H     
25   H        39.7708   52.0777   58.2392  H     
26   H        40.9528   49.3313   59.4968  H     
27   H        40.9179   49.6828   61.2426  H     
28   H        42.0812   53.4016   57.9642  H     
29   H        44.4275   54.9197   57.9654  H     
30   H        45.3223   54.9169   59.4900  H     
31   H        43.5288   56.1894   60.6109  H     
32   H        44.0436   57.0488   59.1513  H     
33   H        41.5506   56.9806   59.3384  H     
34   H        42.1154   56.1447   57.8858  H     
35   H        40.3901   54.8698   58.9469  H     
36   H        41.2070   54.8443   60.5127  H     
37   H        43.6664   53.5024   60.5667  H     
38   H        44.1744   52.7675   59.0364  H     
39   H        38.8755   50.2591   59.3039  H     
40   H        37.9871   52.8129   61.0020  H     
41   H        34.1992   52.9972   65.1071  H     
42   H        37.8554   53.9047   63.2383  H     
43   H        35.6443   50.5442   62.0099  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   19 2
    19   16   20 1
    20   17   18 2
    21   17   21 1
    22   18   19 1
    23   18   23 1
    24   20   21 2
    25   21   22 1
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   17   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.1717
  Crash		| -2.0633
  Polar		| 0.0004
  FragIndex	| 1
  FragRMSD	| 1.456